SCHEMBL3266083

SCHEMBL3266083

CC(C)C(C)(NC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)no1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 4/20 0.51
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
DGAT1 O75907 3/20 0.46
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KLK7 P49862 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL3265449 0.84 KDM4E (0.44) CSGALNACT1PIK3CAMTORPIK3CGNPC1
SCHEMBL2298388 0.82 CSGALNACT1 (0.71) CSGALNACT1DGAT1
SCHEMBL2299047 0.80 CSGALNACT1 (0.60) CSGALNACT1PIK3CAMTORPIK3CGNPC1
SCHEMBL3266079 0.80 CSGALNACT1 (0.60) CSGALNACT1PIK3CAMTORPIK3CGNPC1
SCHEMBL3265094 0.76 KDM4E (0.52) SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL3265779 0.73 KDM4E (0.46) NPC1RAB9ALMNAMAPTHTT
SCHEMBL3089092 0.72 SMN1; SMN2 (0.59) CSGALNACT1PIK3CAMTORPIK3CGNPC1
SCHEMBL2299944 0.72 CSGALNACT1 (0.66) CSGALNACT1DGAT1
SCHEMBL2299953 0.72 CSGALNACT1 (0.66) CSGALNACT1DGAT1
SCHEMBL2298368 0.71 DGAT1 (0.62) CSGALNACT1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO disclosed