SCHEMBL8547664

SCHEMBL8547664

Cc1ccccc1C(CC(C)C(=O)O)C(=O)c1cccc(OCc2ccsn2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
NR4A2 P43354 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MAOB P27338 1/20 0.37
GPR132 Q9UNW8 3/20 0.37

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
SCHEMBL7907872 0.87 CYSLTR2 (0.39) CYSLTR1CYSLTR2NR4A2
SCHEMBL7907867 0.87 CYSLTR2 (0.39) CYSLTR1CYSLTR2NR4A2
SCHEMBL8545746 0.86 GPR132 (0.51) CYSLTR1CYSLTR2NR4A2GPBAR1MAOB
SCHEMBL8547662 0.84 CYSLTR1 (0.39) CYSLTR1
SCHEMBL8545815 0.84 MAOB (0.54) NR4A2MAOBGPR132
SCHEMBL8546047 0.83 MAOB (0.38) CYSLTR1CYSLTR2NR4A2MAOB
SCHEMBL8550731 0.83 ALDH1A1 (0.39) NR4A2MAOB
SCHEMBL8549929 0.83
SCHEMBL8547558 0.82 SMPD1 (0.52) NR4A2MAOB
SCHEMBL8545786 0.82 GPR132 (0.52) NR4A2MAOBGPR132

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed