SCHEMBL8545508

SCHEMBL8545508

CCOC(=O)CCC(C(=O)c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 3/20 0.52
NR4A2 P43354 3/20 0.50
SMPD1 P17405 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPD P32754 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL8549782 0.92 MAOB (0.53) MAOBMAOANR4A2SMPD1MEN1
SCHEMBL7907974 0.90 NR4A2 (0.56) MAOBMAOANR4A2SMPD1MEN1
SCHEMBL7907970 0.90 NR4A2 (0.56) MAOBMAOANR4A2SMPD1MEN1
SCHEMBL8545812 0.84 MAOB (0.51) MAOBNR4A2SMPD1MEN1KMT2A
SCHEMBL8546792 0.83 MAOB (0.53) MAOBMAOANR4A2RXRARXRB
SCHEMBL8547554 0.83 SMPD1 (0.53) MAOBNR4A2SMPD1
SCHEMBL7900916 0.82 MAOB (0.54) MAOBNR4A2SMPD1
SCHEMBL7900921 0.82 MAOB (0.54) MAOBNR4A2SMPD1
SCHEMBL7901041 0.82 MAOB (0.54) MAOBNR4A2SMPD1
SCHEMBL8546901 0.81 MEN1 (0.42) MAOBSMPD1MEN1KMT2A

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