SCHEMBL3978086

SCHEMBL3978086

CCc1oc(-c2cccc(C(F)(F)F)c2)nc1CI.O=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOTUM Q6P988 2/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
UTRN P46939 1/20 0.41
KDM4E B2RXH2 2/20 0.38
PGR P06401 1/20 0.37
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 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
SCHEMBL1930103 0.90 MAPT (0.50) MAPTALDH1A1RAB9AHTTLMNA
SCHEMBL4255119 0.84 ALDH1A1 (0.45) MAPTALDH1A1RAB9AHTTLMNA
SCHEMBL18003406 0.80 UTRN (0.48) MAPTALDH1A1RAB9AHTTLMNA
SCHEMBL4077739 0.78 NOTUM (0.38) MAPTALDH1A1RAB9AHTTLMNA
2-Naphthaldehyde SCHEMBL4258154 0.76 UTRN (0.40) MAPTALDH1A1RAB9ANOTUMMEN1
SCHEMBL1045446 0.76 MAPT (0.64) MAPTALDH1A1RAB9AHTTLMNA
SCHEMBL3968786 0.76 NOTUM (0.42) RAB9ALMNATDP1NOTUMUTRN
SCHEMBL3974213 0.75 NOTUM (0.39) MAPTALDH1A1RAB9ALMNANOTUM
SCHEMBL1049615 0.75 RAB9A (0.50) MAPTALDH1A1RAB9AHTTLMNA
SCHEMBL18003367 0.73 UTRN (0.44) MAPTALDH1A1RAB9AHTTLMNA

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
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-1599452-B1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-06-20 EP disclosed
EP-1599452-A1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 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-2004076427-A1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO 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