SCHEMBL1123685

SCHEMBL1123685

CCCCc1ccc(COc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.71
GAA P10253 1/20 0.71
PPARG P37231 1/20 0.60
ERAP2 Q6P179 2/20 0.57
LNPEP Q9UIQ6 2/20 0.57
GPR132 Q9UNW8 2/20 0.54
YAP1 P46937 3/20 0.53
PTPN1 P18031 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
LTA4H P09960 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL27638041 1.00 RAB9A (0.71) RAB9AGAAPPARGERAP2LNPEP
SCHEMBL1122923 1.00 RAB9A (0.71) RAB9AGAAPPARGERAP2LNPEP
SCHEMBL1123687 1.00 RAB9A (0.71) RAB9AGAAPPARGERAP2LNPEP
SCHEMBL27638047 0.94 RAB9A (0.74) RAB9AGAAPPARGERAP2LNPEP
SCHEMBL1122610 0.94 RAB9A (0.74) RAB9AGAAPPARGERAP2LNPEP
SCHEMBL27658965 0.93 GAA (0.69) RAB9AGAAPPARGERAP2LNPEP
SCHEMBL1122645 0.93 GAA (0.69) RAB9AGAAPPARGERAP2LNPEP
SCHEMBL1123606 0.92 GPR132 (0.64) RAB9AGAAPPARGGPR132PTPN1
SCHEMBL1123256 0.92 GPR132 (0.64) RAB9AGAAPPARGGPR132PTPN1
SCHEMBL1123211 0.92 GPR132 (0.64) RAB9AGAAPPARGGPR132PTPN1

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