SCHEMBL3974213

SCHEMBL3974213

CCc1oc(-c2ccc(C)c(C)c2)nc1CI.Cc1ccc(C=O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
PPARA Q07869 5/20 0.36
PPARG P37231 4/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TARBP2 Q15633 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 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
SCHEMBL3291369 0.89 NOTUM (0.43) NOTUMPPARAPPARGS1PR1S1PR3
2-Naphthaldehyde SCHEMBL4258154 0.83 UTRN (0.40) NOTUMPPARAPPARGS1PR1RAB9A
SCHEMBL3977952 0.83 NOTUM (0.38) NOTUMPPARAPPARGS1PR1S1PR3
Cuminaldehyde SCHEMBL3978618 0.78 TYR (0.45) NOTUMPPARAPPARGNPC1RAB9A
SCHEMBL3978086 0.75 MAPT (0.45) NOTUMPPARAPPARGNPC1RAB9A
SCHEMBL4832212 0.74 PPARA (0.46) NOTUMPPARAPPARGS1PR1S1PR3
SCHEMBL1048319 0.74 PPARG (0.47) NOTUMPPARAPPARGNPC1RAB9A
SCHEMBL1929990 0.72 CYP1A2 (0.46) NOTUMPPARAPPARGS1PR1ALDH1A1
2-Naphthaldehyde SCHEMBL5206558 0.71 DRD2 (0.45) NOTUMPPARAPPARGALDH1A1HPGD
SCHEMBL9910120 0.70 PPARG (0.43) PPARAPPARGNPC1RAB9AHSD17B10

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