SCHEMBL4257935

SCHEMBL4257935

CC(C)c1oc(-c2ccc(C(F)(F)F)cc2)nc1CI.O=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
IKBKB O14920 1/20 0.37
PPARG P37231 9/20 0.36
PPARD Q03181 7/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
PPARA Q07869 9/20 0.35
PTPN1 P18031 1/20 0.35
UTRN P46939 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3982662 0.91 LMNA (0.42) NOTUMIKBKBPPARGPPARDLMNA
SCHEMBL4255119 0.82 ALDH1A1 (0.45) NOTUMPPARGLMNAPPARAUTRN
SCHEMBL13635363 0.82 PPARD (0.39) NOTUMIKBKBPPARGPPARDLMNA
SCHEMBL3297717 0.79 PPARG (0.47) NOTUMIKBKBPPARGPPARDLMNA
SCHEMBL18003565 0.78 IKBKB (0.43) NOTUMIKBKBPPARGPPARDLMNA
SCHEMBL18003198 0.78 IKBKB (0.43) NOTUMIKBKBPPARGPPARDLMNA
SCHEMBL3977952 0.77 NOTUM (0.38) NOTUMPPARGPPARDLMNAPPARA
SCHEMBL3293957 0.76 ALDH1A1 (0.49) NOTUMPPARGLMNAPPARAUTRN
SCHEMBL1050172 0.75 NPC1 (0.41) NOTUMIKBKBLMNAKDM4EL3MBTL1
SCHEMBL9260216 0.74 PPARG (0.53) PPARGPPARDPPARAPTPN1

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