SCHEMBL2178455

SCHEMBL2178455

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(F)(F)F)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MAPT P10636 2/20 0.37
S1PR1 P21453 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
THRB P10828 2/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.36
EEF2K O00418 1/20 0.36
PLK1 P53350 1/20 0.36
KDR P35968 5/20 0.36
FLT4 P35916 3/20 0.36
FLT3 P36888 3/20 0.36
FRK P42685 2/20 0.36
HIPK4 Q8NE63 2/20 0.36
AURKB Q96GD4 2/20 0.36

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
SCHEMBL2179779 0.92 SLC1A3 (0.42) LMNATP53SLC1A3SLC1A2SLC1A1
SCHEMBL13718977 0.92 SLC1A3 (0.42) LMNATP53SLC1A3SLC1A2SLC1A1
SCHEMBL2179704 0.90 LMNA (0.41) LMNATP53MAPTS1PR1THRB
SCHEMBL2179328 0.89 NPC1 (0.41) LMNATP53S1PR1KDRMEN1
SCHEMBL2179365 0.87 LMNA (0.42) LMNATP53MAPTS1PR1THRB
SCHEMBL2178261 0.86 MAPT (0.43) LMNATP53MAPTHTR2AHTR2C
SCHEMBL2178689 0.84 S1PR1 (0.44) LMNATP53S1PR1
SCHEMBL2224009 0.84 HTR2A (0.40) LMNATP53MAPTHTR2AHTR2C
SCHEMBL2180394 0.84 HTR2A (0.40) LMNATP53MAPTHTR2AHTR2C
SCHEMBL2365142 0.82 AKR1C3 (0.44) LMNATP53MAPTTHRBGAA

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