SCHEMBL5689906

SCHEMBL5689906

C=CC(COC(=O)CC)OC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
NAAA Q02083 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
DGKA P23743 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL13392782 0.89 USP2 (0.41) TSHRMAPTALDH1A1LMNAMEN1
SCHEMBL28245654 0.83 ALDH1A1 (0.36) TSHRALDH1A1MEN1KMT2ACYP2C19
SCHEMBL13392770 0.82 LMNA (0.41) TSHRNAAAMAPTALDH1A1LMNA
SCHEMBL5690286 0.81 LMNA (0.46) TSHRMAPTALDH1A1LMNAMEN1
SCHEMBL10881602 0.80 TSHR (0.33) TSHRNAAAALDH1A1MEN1KMT2A
SCHEMBL4926306 0.79
SCHEMBL5322372 0.78 TSHR (0.34) TSHRALDH1A1MEN1KMT2ACYP2C19
SCHEMBL7591537 0.78 LMNA (0.56) TSHRMAPTALDH1A1LMNAMEN1
SCHEMBL13428206 0.78 TSHR (0.32) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL7596298 0.77 PRKCA (0.45) TSHRMAPTALDH1A1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4544767-A HYDROGENATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-10-01 US claimed
US-4182901-A AND SUITABLE CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-01-08 US claimed
US-4095030-A CARBOXYLIC ACID SALTS, DILUENTS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US claimed
EP-1631645-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2006-03-08 EP disclosed
WO-2004106470-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 WO disclosed
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
EP-0891320-A1 PROCESS FOR THE PRODUCTION OF 1,2-BIS(ACYLOXYLATES) EASTMAN CHEMICAL COMPANY (US) 1999-01-20 EP disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed
WO-1997024313-A1 PROCESS FOR THE PRODUCTION OF 1,2-BIS(ACYLOXYLATES)_____________ EASTMAN CHEMICAL COMPANY (US) 1997-07-10 WO disclosed
US-5623086-A WITH COCATALYST MIXTURE CONTAINING TERTIARY AMINE(SALT) AND CONJUGATE ACID OF REACTANT ANHYDRIDE EASTMAN CHEMICAL COMPANY (US) 1997-04-22 US disclosed
US-4806679-A GAS OR LIQUID PHASE CATALYSIS WITH ZEOLITE; INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
US-4544767-A HYDROGENATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-10-01 US disclosed
EP-0132737-A2 Process for the isomerization of diacyloxybutenes BASF Aktiengesellschaft (DE) 1985-02-13 EP disclosed
EP-0009741-B1 PROCESS FOR THE PREPARATION OF BUTENEDIOL DIESTERS BASF Aktiengesellschaft (DE) 1982-01-20 EP disclosed
US-4238356-A REACTION PRODUCT OF A CARBOXYLIC ACID, SELENIUM DIOXIDE, A HYDROXIDE OR ACID SALT, AND AN ACID ANHYDRIDE PHILLIPS PETROLEUM COMPANY (US) 1980-12-09 US disclosed
US-4182901-A AND SUITABLE CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-01-08 US disclosed
US-4131743-A Process for preparing unsaturated diesters JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1978-12-26 US disclosed
US-4113970-A REACTING 1,3-BUTADIENE WITH CARBOXYLIC ACID; PALLADIUM, IODINE-CONTAINING CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1978-09-12 US disclosed
US-4095030-A CARBOXYLIC ACID SALTS, DILUENTS PHILLIPS PETROLEUM COMPANY (US) 1978-06-13 US disclosed