SCHEMBL1123390

SCHEMBL1123390

O=C(N[C@@H](CC1CCCCC1)C(=O)O)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 9/20 0.68
GRN P28799 1/20 0.52
SORT1 Q99523 1/20 0.52
CTSS P25774 4/20 0.49
PTPN1 P18031 2/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
CTSK P43235 1/20 0.48
PPARG P37231 1/20 0.47
GPR34 Q9UPC5 1/20 0.46

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
SCHEMBL1123392 0.93 GPR132 (0.78) GPR132GRNSORT1CTSSCTSL
SCHEMBL1123119 0.92 GPR132 (0.77) GPR132GRNSORT1CTSSPTPN1
SCHEMBL1123574 0.92 GPR132 (0.58) GPR132CTSSPTPN1CTSLCTSB
SCHEMBL1123575 0.92 GPR132 (0.58) GPR132CTSSPTPN1CTSLCTSB
SCHEMBL1122784 0.89 GPR132 (0.62) GPR132GRNSORT1CTSSCTSL
SCHEMBL1122740 0.85 GPR132 (0.66) GPR132CTSSCTSLCTSBCMKLR2
SCHEMBL1123253 0.84 GPR132 (0.65) GPR132CTSSPTPN1CTSLCTSB
SCHEMBL1123135 0.83 GPR132 (0.54) GPR132GRNSORT1CTSSPTPN1
SCHEMBL1122875 0.82 GPR132 (0.79) GPR132PTPN1CMKLR2CMKLR1PPARG
SCHEMBL27658925 0.82 GPR132 (0.79) GPR132PTPN1CMKLR2CMKLR1PPARG

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 1 patent. 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