SCHEMBL1123215

SCHEMBL1123215

CCCCOc1ccc(COc2ccc(C(=O)N[C@@H](CC3CCCCC3)C(=O)OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
CTSS P25774 5/20 0.45
GPR132 Q9UNW8 1/20 0.45
BDKRB2 P30411 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CTSL P07711 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL1122538 0.94 BDKRB2 (0.50) TAS1R3TAS1R1GAARAB9ACTSS
SCHEMBL1123135 0.91 GPR132 (0.54) RAB9ACTSSGPR132BDKRB2CTSL
SCHEMBL1122690 0.85 GPR132 (0.53) CTSSGPR132BDKRB2SLC6A5PLG
SCHEMBL1122814 0.85 GPR132 (0.53) CTSSGPR132BDKRB2SLC6A5PLG
SCHEMBL1123575 0.84 GPR132 (0.58) GAARAB9ACTSSGPR132CTSL
SCHEMBL1123574 0.84 GPR132 (0.58) GAARAB9ACTSSGPR132CTSL
SCHEMBL1123156 0.83 GPR132 (0.58) RAB9ACTSSGPR132BDKRB2CTSL
SCHEMBL1123253 0.82 GPR132 (0.65) GAARAB9ACTSSGPR132CTSL
SCHEMBL1123151 0.82 MAOB (0.52) GAARAB9ACTSSGPR132PRSS1
SCHEMBL5720786 0.81 BDKRB2 (0.52) BDKRB2SLC6A5ALDH1A1MAPTHTT

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