SCHEMBL2177933

SCHEMBL2177933

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)c(F)c4)cc3)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ITGA2 P17301 2/20 0.39
KIF11 P52732 2/20 0.38
ABCB1 P08183 2/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
NAMPT P43490 6/20 0.37
THRB P10828 2/20 0.37
ABL1 P00519 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
SCHEMBL13719287 0.92 ITGB3 (0.41) LMNATP53KCNQ3KCNQ2KCNE1
SCHEMBL2180186 0.92 ITGB3 (0.41) LMNATP53KCNQ3KCNQ2KCNE1
SCHEMBL2180613 0.91 LMNA (0.44) LMNATP53KCNQ3KCNQ2ITGB3
SCHEMBL2178360 0.86 LMNA (0.43) LMNATP53THRB
SCHEMBL2179020 0.85 LMNA (0.42) LMNATP53NAMPTTHRB
SCHEMBL2179906 0.85 LMNA (0.47) LMNATP53THRB
SCHEMBL2179127 0.85 ITGB3 (0.41) LMNATP53KCNQ3KCNQ2KCNE1
SCHEMBL2180255 0.84 LMNA (0.51) LMNATP53ITGB3ITGA2BITGA2
SCHEMBL2178689 0.84 S1PR1 (0.44) LMNATP53ITGB3ITGA2BITGA2
SCHEMBL2180708 0.84 GAA (0.48) LMNATP53ABCB1PLAUNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed