SCHEMBL1123513

SCHEMBL1123513

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCCOc2ccc3sc(C)nc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
ERAP2 Q6P179 2/20 0.51
LNPEP Q9UIQ6 1/20 0.51
PPARG P37231 3/20 0.50
PTPN1 P18031 2/20 0.50
GPR132 Q9UNW8 3/20 0.47
SCD O00767 1/20 0.47
YAP1 P46937 2/20 0.46
TACR3 P29371 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
IL1RN P18510 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44

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
SCHEMBL1123515 1.00 GAA (0.55) GAARAB9AERAP2LNPEPPPARG
SCHEMBL1123251 0.93 PTPN1 (0.56) PPARGPTPN1GPR132
SCHEMBL1122872 0.84 GAA (0.58) GAARAB9AERAP2LNPEPPPARG
SCHEMBL1123055 0.82 GAA (0.80) GAARAB9AERAP2LNPEPPPARG
SCHEMBL1122711 0.81 GAA (0.59) GAARAB9AERAP2LNPEPPPARG
SCHEMBL1123382 0.80 GAA (0.71) GAARAB9AERAP2LNPEPPPARG
SCHEMBL1123147 0.80 GAA (0.71) GAARAB9AERAP2LNPEPPPARG
SCHEMBL27638047 0.80 RAB9A (0.74) GAARAB9AERAP2LNPEPPPARG
SCHEMBL1122610 0.80 RAB9A (0.74) GAARAB9AERAP2LNPEPPPARG
SCHEMBL1122832 0.80 GAA (0.62) GAARAB9AERAP2LNPEPPPARG

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