SCHEMBL2178360

SCHEMBL2178360

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
IL2 P60568 4/20 0.39
THRB P10828 2/20 0.38
TRPA1 O75762 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
RORC P51449 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EGFR P00533 1/20 0.35
BDKRB1 P46663 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
SCHEMBL2177338 0.92 ITGA4 (0.43) LMNATP53ITGB1ITGA4IL2
SCHEMBL2177345 0.92 ITGA4 (0.43) LMNATP53ITGB1ITGA4IL2
SCHEMBL2179906 0.88 LMNA (0.47) LMNATP53THRBGAAATM
SCHEMBL2177933 0.86 LMNA (0.41) LMNATP53THRB
SCHEMBL2181234 0.86 LMNA (0.47) LMNATP53THRBGAAATM
SCHEMBL2179020 0.85 LMNA (0.42) LMNATP53THRBEGFR
SCHEMBL2181088 0.84 LMNA (0.44) LMNATP53IL2THRB
SCHEMBL2180962 0.84 LMNA (0.44) LMNATP53IL2THRB
SCHEMBL2179175 0.83 TRPV4 (0.46) LMNATP53THRB
SCHEMBL2180613 0.81 LMNA (0.44) LMNATP53THRB

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