SCHEMBL2179704

SCHEMBL2179704

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDR P35968 4/20 0.39
ROCK2 O75116 2/20 0.39
RPS6KB1 P23443 2/20 0.39
ROCK1 Q13464 2/20 0.39
TAOK1 Q7L7X3 2/20 0.39
HIPK4 Q8NE63 2/20 0.39
AURKB Q96GD4 2/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
PIM1 P11309 1/20 0.39
GSK3B P49841 1/20 0.39
BLK P51451 1/20 0.39

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
SCHEMBL2181732 0.92 SDCBP (0.41) LMNATP53THRBMAPTTDP1
SCHEMBL13718932 0.92 SDCBP (0.41) LMNATP53THRBMAPTTDP1
SCHEMBL2178455 0.90 LMNA (0.40) LMNATP53THRBMAPTKDR
SCHEMBL2179328 0.89 NPC1 (0.41) LMNATP53TDP1KDRPOLB
SCHEMBL2179365 0.87 LMNA (0.42) LMNATP53THRBMAPTKDR
SCHEMBL2179912 0.84 LMNA (0.48) LMNATP53TSHRRECQLTHRB
SCHEMBL2178689 0.84 S1PR1 (0.44) LMNATP53S1PR1
SCHEMBL2365142 0.82 AKR1C3 (0.44) LMNATP53THRBMAPTSDCBP
SCHEMBL2365140 0.82 AKR1C3 (0.44) LMNATP53THRBMAPTSDCBP
SCHEMBL2181058 0.82 LMNA (0.42) LMNATP53THRBMAPTPOLB

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