SCHEMBL6583591

SCHEMBL6583591

CC(=O)/C(=C/c1ccccc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
AKR1C3 P42330 1/20 0.63
TP53 P04637 1/20 0.59
ALDH1A1 P00352 4/20 0.57
GLA P06280 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 2/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
AKR1C1 Q04828 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8440119 1.00 HTT (0.67) HTTAKR1C3TP53ALDH1A1GLA
SCHEMBL2710798 1.00 HTT (0.67) HTTAKR1C3TP53ALDH1A1GLA
SCHEMBL28273258 0.91 AKR1C3 (0.61) HTTAKR1C3TP53ALDH1A1GLA
SCHEMBL979463 0.91 ALDH1A1 (0.67) HTTAKR1C3TP53ALDH1A1GLA
SCHEMBL39098 0.86 TP53 (0.75) HTTAKR1C3TP53ALDH1A1MAPT
SCHEMBL4972255 0.86 TP53 (0.68) HTTAKR1C3TP53ALDH1A1MAPT
SCHEMBL29898330 0.86 TP53 (0.75) HTTAKR1C3TP53ALDH1A1MAPT
SCHEMBL4972259 0.86 TP53 (0.68) HTTAKR1C3TP53ALDH1A1MAPT
SCHEMBL10824894 0.83 AKR1C3 (0.53) HTTAKR1C3TP53ALDH1A1GLA
SCHEMBL10824896 0.83 AKR1C3 (0.53) HTTAKR1C3TP53ALDH1A1GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240398-B1 DISSYMMETRICAL 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID DERIVATIVES, PREPARATION PROCESSES AND THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1991-05-15 EP claimed
EP-0371492-A2 Process for the preparation of 1,4-dihydropyridine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-06-06 EP claimed
EP-0197488-A2 1,4-Dihydropyiridine derivative, a process for preparing the same, a pharmaceutical composition as well as the use thereof Eisai Co., Ltd. (JP) 1986-10-15 EP claimed
EP-1443043-A2 Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives Bayer HealthCare AG (DE) 2004-08-04 EP disclosed
EP-1189958-B1 TRIFUNCTIONAL OLEFINIC-CAPPED POLYMERS AND COMPOSITIONS THAT INCLUDE SUCH POLYMERS LORD CORP (US) 2003-08-27 EP disclosed
US-6562910-B2 Polymer having end group or pendant functional group capped with a benzylidenecyanoacetate group; reacting hydroxy-terminated polybutadiene with methyl benzylidenecyanoacetate; curable mixtures; adhesives LORD CORPORATION 2003-05-13 US disclosed
US-6562181-B2 Bonding together two substrates by applying to a first substrate formulation of mixture of trifunctional olefinic monomer, olefinic second monomer that is copolymerizable and free radical initiator; contacting second substrate LORD CORPORATION 2003-05-13 US disclosed
US-20030032732-A1 Trifunctional olefinic-capped polymers and compositions that include such polymers F RIGHETTINI ROBIN (US) 2003-02-13 US disclosed
US-6515078-B1 A polymer having at least one reactive terminal or pendant functional group that has been capped with a trifunctional olefinic compound. The polymer can be made by contacting a base polymer having at least one reactive terminal or pendant LORD CORPORATION 2003-02-04 US disclosed
US-6506844-B1 Crosslinking toughening agents for adhesives, coatings, and composite matrices LORD CORPORATION 2003-01-14 US disclosed
US-20020129896-A1 REACTIVE ADHESIVES AND COATINGS WITH TRIFUNCTIONAL OLEFINIC MONOMERS LORD CORPORATION 2002-09-19 US disclosed
EP-0197488-A2 1,4-Dihydropyiridine derivative, a process for preparing the same, a pharmaceutical composition as well as the use thereof Eisai Co., Ltd. (JP) 1986-10-15 EP disclosed
US-4446325-A VASODILATION, HYPOTENSIVE AGENTS MARUKO SEIYAKU CO., LTD. (JP) 1984-05-01 US disclosed
US-4419518-A VASODILATION, HYPOTENSIVE AGENTS TOKYO TANABE CO. L.T.D. (JP) 1983-12-06 US disclosed
US-4418197-A VASODILATORS, HYPOTENSIVE AGENTS TOKYO TANABE COMPANY, LIMITED (JP) 1983-11-29 US disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
US-4038399-A 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4031104-A ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-3996234-A CORONARY VESSEL DILATORS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed
US-3974275-A 1,4-Dihydropyridine carboxylic acid esters useful as coronary vessel dilators and anti-hypertensives BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed