SCHEMBL8550778

SCHEMBL8550778

CCC(CC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1C)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
NR4A2 P43354 2/20 0.47
SMPD1 P17405 2/20 0.47
GPR132 Q9UNW8 1/20 0.44
SRD5A2 P31213 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
GUSB P08236 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
SCHEMBL7910797 0.85 MAOB (0.51) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8545815 0.84 MAOB (0.54) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8547592 0.82 MAOB (0.47) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8550777 0.81 MAOB (0.47) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL8547589 0.80 MAOB (0.47) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7900903 0.80 MAOB (0.54) MAOBNR4A2SMPD1GPR132SRD5A2
SCHEMBL7901041 0.80 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7900921 0.80 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7900916 0.80 MAOB (0.54) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL8547558 0.78 SMPD1 (0.52) MAOBNR4A2SMPD1PTPN1

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