SCHEMBL8546398

SCHEMBL8546398

Cc1ccccc1C(CC(C)C(=O)O)C(=O)c1cccc(OCc2cccc(N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
MAOB P27338 3/20 0.46
NR4A2 P43354 5/20 0.45
GPR132 Q9UNW8 2/20 0.42
SMPD1 P17405 1/20 0.42
F2 P00734 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL8545815 0.92 MAOB (0.54) FFAR1MAOBNR4A2GPR132SMPD1
SCHEMBL8549981 0.89 MRGPRX4 (0.52) FFAR1MAOBNR4A2GPR132SMPD1
SCHEMBL7901023 0.86 MAOB (0.46) FFAR1MAOBNR4A2
SCHEMBL7901028 0.86 MAOB (0.46) FFAR1MAOBNR4A2
SCHEMBL8549666 0.86 GPR132 (0.60) GPR132
SCHEMBL8547558 0.85 SMPD1 (0.52) FFAR1MAOBNR4A2SMPD1MRGPRX4
SCHEMBL8545786 0.85 GPR132 (0.52) MAOBNR4A2GPR132
SCHEMBL8546381 0.85 MAOB (0.58) FFAR1MAOB
SCHEMBL8549929 0.85
SCHEMBL8545507 0.84 MAOB (0.42) FFAR1MAOBNR4A2GPR132SMPD1

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