SCHEMBL1123575

SCHEMBL1123575

COC(=O)C(CC1CCCCC1)NC(=O)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.58
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
CTSS P25774 9/20 0.51
YAP1 P46937 3/20 0.49
CTSL P07711 5/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
PTPN1 P18031 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
ERAP2 Q6P179 1/20 0.46
LNPEP Q9UIQ6 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
SCHEMBL1123574 1.00 GPR132 (0.58) GPR132GAARAB9ACTSSYAP1
SCHEMBL1122740 0.94 GPR132 (0.66) GPR132CTSSYAP1CTSLCTSB
SCHEMBL1123253 0.93 GPR132 (0.65) GPR132GAARAB9ACTSSYAP1
SCHEMBL1123390 0.92 GPR132 (0.68) GPR132CTSSCTSLCTSBCTSK
SCHEMBL1123151 0.89 MAOB (0.52) GPR132GAARAB9ACTSSYAP1
SCHEMBL1123392 0.85 GPR132 (0.78) GPR132CTSSCTSLCTSBCTSK
SCHEMBL1123215 0.84 TAS1R3 (0.53) GPR132GAARAB9ACTSSCTSL
SCHEMBL1123119 0.84 GPR132 (0.77) GPR132CTSSCTSLPTPN1
SCHEMBL1123382 0.83 GAA (0.71) GPR132GAARAB9AYAP1PTPN1
SCHEMBL1122538 0.82 BDKRB2 (0.50) GPR132GAARAB9ACTSSYAP1

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