SCHEMBL7438622

SCHEMBL7438622

COC(=O)/C=C/c1cccc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.77
CYP1A1 P04798 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALOX5 P09917 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
MAOB P27338 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.55
PRMT1 Q99873 1/20 0.55
ALDH1A1 P00352 1/20 0.54
NTSR1 P30989 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL7438631 1.00 NFE2L2 (0.77) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL8010625 0.89 NFE2L2 (0.74) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL5598877 0.87 NFE2L2 (1.00) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL5598884 0.87 NFE2L2 (1.00) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL2744350 0.87 NFE2L2 (1.00) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL2744353 0.87 NFE2L2 (1.00) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL1879320 0.85 ABCG2 (0.69) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL1879319 0.85 ABCG2 (0.69) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL1056670 0.85 NFE2L2 (0.79) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL457033 0.85 NFE2L2 (0.79) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306587-B1 APPARATUS OF VESSEL FOR RECEIVING SAMPLE AND TWO PROBES, EACH HAVING FUNCTIONAL GROUPS CAPABLE OF REACTING WITH EACH OTHER TO FORM COVALENT BOND; LIGHT SOURCE TO ACTIVATE GROUPS; AND DETECTOR TO DETECT REACTION PRODUCT VYSIS, INC. 2001-10-23 US disclosed
US-6066311-A ESTERIFICATION OF CHLOROGENIC ACID WITH AN ESTERIFYING ENZYME. CAFFEIC ACID AND ITS DERIVATIVES, PRODUCED BY THIS METHOD, MAY BE USED IN SUNSCREEN COMPOSITIONS, THE CAFFEIC ACID AND ITS DERIVATIVES ABSORBING BOTH UVA AND UVB LIGHT. ZYLEPSIS LIMITED (GB) 2000-05-23 US disclosed
US-5723484-A Benzopyran compounds as 5-HT2C receptor antagonists ADIR ET COMPAGNIE (FR) 1998-03-03 US disclosed
US-5686243-A DETECTING POLYNUCLEOTIDE SEQUENCES; HYBRIDIZATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-11-11 US disclosed
US-5663191-A PSYCHIATRIC DISEASES, ANXIETY AND ANTIDEPRESSANTS ADIR ET COMPAGNIE (FR) 1997-09-02 US disclosed
EP-0764147-A1 PRODUCTION AND USES OF CAFFEIC ACID AND DERIVATIVES THEREOF ZYLEPSIS LIMITED (GB) 1997-03-26 EP disclosed
WO-1995033706-A1 PRODUCTION AND USES OF CAFFEIC ACID AND DERIVATIVES THEREOF ZYLEPSIS LIMITED (GB) 1995-12-14 WO disclosed
EP-0526535-B1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE ORION YHTYMAE OY (FI) 1995-09-27 EP disclosed
US-5449602-A Polynucleotides AMOCO CORPORATION (US) 1995-09-12 US disclosed
EP-0324616-B1 Template-directed photoligation AMOCO CORP (US) 1995-03-29 EP disclosed
US-5356923-A 1-hydroxy-4(3-cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone and anti-hypertensive use thereof ORION-YHTYMA OY (FI) 1994-10-18 US disclosed
EP-0526535-A1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE. ORION YHTYMAE OY (FI) 1993-02-10 EP disclosed
WO-1991016303-A1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE Orion-Yhtymä Oy (FI) 1991-10-31 WO disclosed
EP-0324616-A2 Template-directed photoligation AMOCO CORPORATION (US) 1989-07-19 EP disclosed