SCHEMBL8545446

SCHEMBL8545446

CC(CC(C(=O)c1cccc(OCc2ccc3c(c2)OCO3)c1)c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7901165 0.86 MAOB (0.46) MAOBNPC1RAB9AHPGDALDH1A1
SCHEMBL7908127 0.85 MAOB (0.59) MAOB
SCHEMBL8545445 0.84 NPC1 (0.46) MAOBNPC1RAB9AHPGDALDH1A1
SCHEMBL8551283 0.79 MAOB (0.55) MAOB
SCHEMBL8546267 0.78 MAOB (0.53) MAOBRAB9A
SCHEMBL8546324 0.77 PARP14 (0.44) MAOBNPC1RAB9AHPGD
SCHEMBL7910795 0.77 MAOB (0.57) MAOBNPC1RAB9AHPGDALDH1A1
SCHEMBL30417964 0.76 OPRM1 (0.59) MAOBNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL1387303 0.76 OPRM1 (0.59) MAOBNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL8550373 0.76 MAOB (0.55) MAOB

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