SCHEMBL1123158

SCHEMBL1123158

COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 10/20 0.77
▸ CMKLR2 P46091 1/20 0.63
▸ CMKLR1 Q99788 1/20 0.63
▸ GAA P10253 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ SMPD1 P17405 2/20 0.59
▸ PPARG P37231 1/20 0.59
▸ GPR139 Q6DWJ6 1/20 0.57
▸ PTPN1 P18031 1/20 0.56
▸ ERAP2 Q6P179 1/20 0.56
▸ LNPEP Q9UIQ6 1/20 0.56
▸ MAOB P27338 1/20 0.55
▸ NR4A2 P43354 1/20 0.54

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
SCHEMBL1122743 0.94 GPR132 (0.76) GPR132CMKLR2CMKLR1GAARAB9A
SCHEMBL1122705 0.94 GPR132 (0.76) GPR132CMKLR2CMKLR1GAARAB9A
SCHEMBL1122747 0.93 GPR132 (0.67) GPR132CMKLR2CMKLR1GAARAB9A
SCHEMBL1123028 0.92 GPR132 (0.71) GPR132CMKLR2CMKLR1GAARAB9A
SCHEMBL1123382 0.91 GAA (0.71) GPR132CMKLR2CMKLR1GAARAB9A
SCHEMBL1123379 0.90 GPR132 (0.95) GPR132CMKLR2CMKLR1SMPD1PTPN1
SCHEMBL4893620 0.89 GPR132 (0.69) GPR132CMKLR2CMKLR1SMPD1GPR139
SCHEMBL1122813 0.88 GPR132 (0.66) GPR132CMKLR2CMKLR1GAARAB9A
SCHEMBL27638085 0.88 GPR132 (0.66) GPR132CMKLR2CMKLR1GAARAB9A
SCHEMBL1122745 0.88 GPR132 (0.66) GPR132CMKLR2CMKLR1GAARAB9A

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 3 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
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
Send feedback