SCHEMBL1122925

SCHEMBL1122925

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

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.75
RAB9A P51151 1/20 0.75
LNPEP Q9UIQ6 4/20 0.69
ERAP2 Q6P179 3/20 0.69
PPARG P37231 1/20 0.66
TSHR P16473 1/20 0.60
GPR132 Q9UNW8 2/20 0.59
ERAP1 Q9NZ08 3/20 0.58
IL1RN P18510 1/20 0.58
PTPN1 P18031 1/20 0.57
LTA4H P09960 1/20 0.57
YAP1 P46937 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GLA P06280 1/20 0.55
MDM4 O15151 1/20 0.55
MDM2 Q00987 1/20 0.55

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
SCHEMBL1123055 0.96 GAA (0.80) GAARAB9ALNPEPERAP2PPARG
SCHEMBL1122834 0.93 GAA (0.75) GAARAB9ALNPEPERAP2PPARG
SCHEMBL1123370 0.92 GAA (0.73) GAARAB9ALNPEPERAP2PPARG
SCHEMBL6030161 0.92 GAA (0.77) GAARAB9ALNPEPERAP2PPARG
SCHEMBL13885677 0.91 GAA (0.73) GAARAB9ALNPEPERAP2TSHR
SCHEMBL1123147 0.90 GAA (0.71) GAARAB9ALNPEPERAP2PPARG
SCHEMBL27638047 0.90 RAB9A (0.74) GAARAB9ALNPEPERAP2PPARG
SCHEMBL1122610 0.90 RAB9A (0.74) GAARAB9ALNPEPERAP2PPARG
SCHEMBL1123382 0.90 GAA (0.71) GAARAB9ALNPEPERAP2PPARG
SCHEMBL1122645 0.89 GAA (0.69) GAARAB9ALNPEPERAP2PPARG

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