SCHEMBL8546997

SCHEMBL8546997

CCC(CCCC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
NR4A2 P43354 3/20 0.51
SMPD1 P17405 1/20 0.47
GPR132 Q9UNW8 3/20 0.47
SRD5A2 P31213 1/20 0.46
PTPN1 P18031 1/20 0.46
KMT2A Q03164 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 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
SCHEMBL8546946 0.94 MAOB (0.54) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7910935 0.84 NR4A2 (0.56) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7910937 0.84 NR4A2 (0.56) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900813 0.83 NR4A2 (0.55) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900814 0.83 NR4A2 (0.55) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8546943 0.82 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8546993 0.82 MAOB (0.50) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900685 0.81 NR4A2 (0.59) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900684 0.81 NR4A2 (0.59) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7908127 0.80 MAOB (0.59) 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