SCHEMBL2296052

SCHEMBL2296052

CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(Nc4ccc(C(F)(F)F)cc4)cc3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 5/20 0.43
SDC2 P34741 5/20 0.43
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
THRB P10828 2/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
DGAT1 O75907 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 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
SCHEMBL2179995 0.93 DGAT1 (0.45) SDCBPSDC2LMNATP53THRB
SCHEMBL2179990 0.93 DGAT1 (0.45) SDCBPSDC2LMNATP53THRB
SCHEMBL2181505 0.91 MEN1 (0.45) LMNATP53
SCHEMBL2181500 0.91 MEN1 (0.45) LMNATP53
SCHEMBL2178580 0.89 MMP13 (0.47) SDCBPSDC2LMNAMMP1MMP2
SCHEMBL2182303 0.89 MMP13 (0.47) SDCBPSDC2LMNAMMP1MMP2
SCHEMBL2282134 0.87 THRB (0.52) SDCBPSDC2LMNATP53THRB
SCHEMBL2289376 0.87 SDCBP (0.44) SDCBPSDC2LMNATP53THRB
SCHEMBL2177517 0.86 TRPV4 (0.47) SDCBPSDC2LMNATP53THRB
SCHEMBL2177522 0.86 TRPV4 (0.47) SDCBPSDC2LMNATP53THRB

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 2 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 disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed