SCHEMBL2179020

SCHEMBL2179020

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.41
EGFR P00533 3/20 0.38
AURKA O14965 3/20 0.37
NAMPT P43490 3/20 0.37
CHEK2 O96017 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
FLT4 P35916 1/20 0.37
ABL2 P42684 1/20 0.37
BLK P51451 1/20 0.37
LIMK1 P53667 1/20 0.37
AURKB Q96GD4 1/20 0.37
NR3C2 P08235 1/20 0.37
WDR5 P61964 4/20 0.37
TRPV4 Q9HBA0 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37

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
SCHEMBL2179769 0.92 LMNA (0.43) LMNATHRBTP53EGFRAURKA
SCHEMBL2179776 0.92 LMNA (0.43) LMNATHRBTP53EGFRAURKA
SCHEMBL2179906 0.90 LMNA (0.47) LMNATHRBTP53
SCHEMBL2179175 0.87 TRPV4 (0.46) LMNATHRBTP53AURKATRPV4
SCHEMBL2177933 0.85 LMNA (0.41) LMNATHRBTP53NAMPT
SCHEMBL2178360 0.85 LMNA (0.43) LMNATHRBTP53EGFR
SCHEMBL2181618 0.82 LMNA (0.51) LMNATP53
SCHEMBL2179986 0.81 PTPRC (0.46) LMNATHRBTP53EGFR
SCHEMBL2179993 0.81 PTPRC (0.46) LMNATHRBTP53EGFR
SCHEMBL2180597 0.81 ALDH1A1 (0.46) LMNATHRBTP53EGFR

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