SCHEMBL7920767

SCHEMBL7920767

COc1ccc(C(=O)C2CCCCC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 1.00
MCL1 Q07820 1/20 0.64
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL10885557 0.87 MCL1 (0.82) MAPK1MCL1NPC1RAB9AALDH1A1
SCHEMBL5270856 0.84 MAPK1 (0.73) MAPK1MCL1NPC1RAB9AALDH1A1
SCHEMBL1720195 0.82 MCL1 (0.70) MAPK1MCL1NPC1RAB9AALDH1A1
SCHEMBL27314925 0.79 MCL1 (0.70) MAPK1MCL1NPC1RAB9AALDH1A1
SCHEMBL1720821 0.79 MCL1 (0.70) MAPK1MCL1NPC1RAB9AALDH1A1
SCHEMBL8144387 0.79 MCL1 (0.70) MAPK1MCL1ALDH1A1KMT2APOLB
SCHEMBL9665141 0.79 MAPK1 (0.64) MAPK1ALDH1A1KMT2APOLBKDM4E
SCHEMBL9136904 0.78 NPC1 (0.77) MAPK1NPC1RAB9AALDH1A1KMT2A
SCHEMBL600072 0.78 MCL1 (1.00) MAPK1MCL1ALDH1A1GAAPOLB
SCHEMBL28357763 0.78 MAPK1 (0.64) MAPK1MCL1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed