SCHEMBL3977952

SCHEMBL3977952

Cc1ccc(-c2nc(CI)c(C(C)C)o2)cc1C.Cc1ccc(C=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARA Q07869 3/20 0.34
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3290943 0.89 NOTUM (0.42) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL3974213 0.83 NOTUM (0.39) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL14427334 0.78 NPC1 (0.41) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL4257935 0.77 NOTUM (0.38) NOTUMLMNAL3MBTL1PPARAPPARG
SCHEMBL4255119 0.75 ALDH1A1 (0.45) NOTUMNPC1RAB9AALDH1A1LMNA
SCHEMBL1050172 0.75 NPC1 (0.41) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL3317191 0.74 ALDH1A1 (0.46) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL4832212 0.73 PPARA (0.46) NOTUMNPC1RAB9AALDH1A1HPGD
2-Naphthaldehyde SCHEMBL5206558 0.72 DRD2 (0.45) NOTUMALDH1A1HPGDSMN1; SMN2HSD17B10
Cuminaldehyde SCHEMBL4262679 0.71 TYR (0.47) NOTUMNPC1RAB9ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599453-B1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed
EP-1599453-A1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
WO-2004076426-A1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed