SCHEMBL1122740

SCHEMBL1122740

COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 7/20 0.66
CTSL P07711 3/20 0.53
CTSS P25774 3/20 0.53
SMPD1 P17405 2/20 0.51
CTSK P43235 2/20 0.51
CTSB P07858 1/20 0.51
NR4A2 P43354 2/20 0.49
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
FAAH O00519 1/20 0.48
CNR2 P34972 1/20 0.48
MAOB P27338 1/20 0.47
YAP1 P46937 1/20 0.47

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
SCHEMBL1123253 0.95 GPR132 (0.65) GPR132CTSLCTSSSMPD1CTSK
SCHEMBL1123575 0.94 GPR132 (0.58) GPR132CTSLCTSSCTSKCTSB
SCHEMBL1123574 0.94 GPR132 (0.58) GPR132CTSLCTSSCTSKCTSB
SCHEMBL1123392 0.91 GPR132 (0.78) GPR132CTSLCTSSSMPD1CTSK
SCHEMBL1123156 0.87 GPR132 (0.58) GPR132CTSLCTSSSMPD1CTSK
SCHEMBL1123119 0.87 GPR132 (0.77) GPR132CTSLCTSSSMPD1CMKLR2
SCHEMBL1123390 0.85 GPR132 (0.68) GPR132CTSLCTSSCTSKCTSB
SCHEMBL1123158 0.84 GPR132 (0.77) GPR132SMPD1NR4A2CMKLR2CMKLR1
SCHEMBL1123151 0.82 MAOB (0.52) GPR132CTSLCTSSCTSKCTSB
SCHEMBL4893620 0.82 GPR132 (0.69) GPR132SMPD1CTSKNR4A2CMKLR2

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed