SCHEMBL3266079

SCHEMBL3266079

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 10/20 0.60
DGAT1 O75907 3/20 0.54
FPR2 P25090 1/20 0.48
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.43

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
SCHEMBL2298388 0.91 CSGALNACT1 (0.71) CSGALNACT1DGAT1
SCHEMBL3265444 0.86 CSGALNACT1 (0.54) CSGALNACT1FPR2SMN1; SMN2LMNAMAPT
SCHEMBL2299047 0.85 CSGALNACT1 (0.60) CSGALNACT1DGAT1PIK3CAMTORPIK3CG
SCHEMBL2299953 0.82 CSGALNACT1 (0.66) CSGALNACT1DGAT1
SCHEMBL2299944 0.82 CSGALNACT1 (0.66) CSGALNACT1DGAT1
SCHEMBL2298368 0.81 DGAT1 (0.62) CSGALNACT1DGAT1
SCHEMBL2298380 0.81 DGAT1 (0.62) CSGALNACT1DGAT1
SCHEMBL3266083 0.80 CSGALNACT1 (0.51) CSGALNACT1DGAT1PIK3CAMTORPIK3CG
SCHEMBL2296367 0.77 CSGALNACT1 (0.65) CSGALNACT1DGAT1
SCHEMBL2296375 0.77 CSGALNACT1 (0.65) 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