SCHEMBL1123253

SCHEMBL1123253

COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 6/20 0.65
CTSL P07711 4/20 0.54
CTSS P25774 4/20 0.54
YAP1 P46937 2/20 0.53
SMPD1 P17405 3/20 0.50
CTSK P43235 2/20 0.50
CTSB P07858 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 1/20 0.48
PTPN1 P18031 1/20 0.48
NR4A2 P43354 1/20 0.48
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48

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
SCHEMBL1122740 0.95 GPR132 (0.66) GPR132CTSLCTSSYAP1SMPD1
SCHEMBL1123574 0.93 GPR132 (0.58) GPR132CTSLCTSSYAP1CTSK
SCHEMBL1123575 0.93 GPR132 (0.58) GPR132CTSLCTSSYAP1CTSK
SCHEMBL1123119 0.92 GPR132 (0.77) GPR132CTSLCTSSSMPD1PTPN1
SCHEMBL1123156 0.88 GPR132 (0.58) GPR132CTSLCTSSSMPD1CTSK
SCHEMBL1123392 0.87 GPR132 (0.78) GPR132CTSLCTSSSMPD1CTSK
SCHEMBL1122705 0.84 GPR132 (0.76) GPR132YAP1SMPD1GAARAB9A
SCHEMBL1122743 0.84 GPR132 (0.76) GPR132YAP1SMPD1GAARAB9A
SCHEMBL1123390 0.84 GPR132 (0.68) GPR132CTSLCTSSCTSKCTSB
SCHEMBL1123151 0.83 MAOB (0.52) GPR132CTSLCTSSYAP1CTSK

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-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
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO disclosed