SCHEMBL8545815

SCHEMBL8545815

Cc1ccccc1C(CC(C)C(=O)O)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
NR4A2 P43354 2/20 0.53
SMPD1 P17405 1/20 0.49
GPR132 Q9UNW8 3/20 0.48
SRD5A2 P31213 1/20 0.48
PTPN1 P18031 1/20 0.47
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8549981 0.93 MRGPRX4 (0.52) MAOBNR4A2SMPD1GPR132FFAR1
SCHEMBL8545786 0.93 GPR132 (0.52) MAOBNR4A2GPR132
SCHEMBL8547558 0.93 SMPD1 (0.52) MAOBNR4A2SMPD1PTPN1FFAR1
SCHEMBL8546398 0.92 FFAR1 (0.46) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8549666 0.91 GPR132 (0.60) GPR132
SCHEMBL8549711 0.91 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8549929 0.90
SCHEMBL8545507 0.89 MAOB (0.42) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8546381 0.89 MAOB (0.58) MAOBFFAR1MEN1KMT2A
SCHEMBL8549883 0.88 MAOB (0.53) MAOBNR4A2SMPD1GPR132SRD5A2

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