SCHEMBL7923478

SCHEMBL7923478

COCn1c(-c2ccccc2)nc(C)c1CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.54
KDM4E B2RXH2 4/20 0.54
PPARG P37231 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
P2RX7 Q99572 3/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL7925241 0.82 ALDH1A1 (0.41) HSD17B10KDM4EPPARGALDH1A1NPC1
SCHEMBL7925236 0.82 PPARG (0.39) HSD17B10KDM4EPPARGALDH1A1SMN1; SMN2
SCHEMBL6917978 0.77 PPARG (0.46) HSD17B10PPARGALDH1A1NPC1RAB9A
SCHEMBL27850263 0.70 CYP1A2 (0.40) HSD17B10KDM4EALDH1A1LMNATSHR
SCHEMBL652738 0.67 TSHR (0.58) HSD17B10KDM4EALDH1A1TP53HPGD
SCHEMBL28501031 0.65 AVPR1A (0.44) ALDH1A1SMN1; SMN2HPGDTSHRMAPK1
SCHEMBL8680393 0.63 HSD17B10 (0.50) HSD17B10KDM4EALDH1A1MAPTNPC1
SCHEMBL11099710 0.63 ALDH1A1 (0.49) KDM4EALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL7921350 0.63 KDM4E (0.50) HSD17B10KDM4EALDH1A1MAPTNPC1
SCHEMBL6816426 0.63 CYP1A2 (0.37) PPARGMAPTNPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093124-C Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 2002-10-23 CN disclosed
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
CN-1218460-A Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 1999-06-02 CN 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