SCHEMBL8545445

SCHEMBL8545445

COC(=O)CCC(C(=O)c1cccc(OCc2ccc3c(c2)OCO3)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
MAOB P27338 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 0.91 MAOB (0.46) NPC1RAB9ACTNNB1WNT3AMAOB
SCHEMBL8543419 0.86 MAOB (0.55) MAOB
SCHEMBL8545446 0.84 MAOB (0.46) NPC1RAB9AMAOBHPGDALDH1A1
SCHEMBL8551278 0.80 MAOB (0.52) MAOB
SCHEMBL8546264 0.80 MAOB (0.51) MAOB
SCHEMBL8546321 0.79 GAA (0.45) NPC1RAB9AHPGD
SCHEMBL8549185 0.79 NR4A2 (0.54) NPC1RAB9AMAOBALDH1A1HTT
SCHEMBL8546084 0.79 NR4A2 (0.52) NPC1RAB9AMAOB
SCHEMBL8551050 0.76 MAOB (0.48) MAOB
SCHEMBL8548524 0.76 MAOB (0.50) 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