SCHEMBL8546993

SCHEMBL8546993

CCOC(=O)CCCCC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
NR4A2 P43354 1/20 0.49
SMPD1 P17405 1/20 0.46
SRD5A2 P31213 1/20 0.45
PTPN1 P18031 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
GPR132 Q9UNW8 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
SCHEMBL8546943 0.97 MAOB (0.51) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7900813 0.87 NR4A2 (0.55) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7900814 0.87 NR4A2 (0.55) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7910935 0.84 NR4A2 (0.56) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7910937 0.84 NR4A2 (0.56) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL8543419 0.82 MAOB (0.55) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7900684 0.82 NR4A2 (0.59) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7900685 0.82 NR4A2 (0.59) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL8546997 0.82 MAOB (0.52) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL21879735 0.81 LMNA (0.55) CYSLTR2CYSLTR1

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