SCHEMBL11246679

SCHEMBL11246679

Nc1ccc(OCc2ccc(Cl)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAOB P27338 11/20 0.54
APP P05067 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TERT O14746 4/20 0.49
POLB P06746 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL11246761 0.83 NPC1 (0.56) RAB9ANPC1ALDH1A1MAOBMAPT
SCHEMBL19998571 0.83 NPC1 (0.58) RAB9ANPC1ALDH1A1MAOBAPP
SCHEMBL171872 0.83 NPC1 (0.62) RAB9ANPC1ALDH1A1MAOBGAA
SCHEMBL4569961 0.82 NPC1 (0.57) RAB9ANPC1ALDH1A1MAOBAPP
SCHEMBL27574834 0.81 NPC1 (0.50) RAB9ANPC1ALDH1A1MAPTTERT
SCHEMBL11240932 0.81 MAOB (0.59) RAB9ANPC1ALDH1A1MAOBAPP
SCHEMBL28983375 0.80 NPC1 (0.56) RAB9ANPC1ALDH1A1MAOBAPP
SCHEMBL11244637 0.79 MAOB (0.54) RAB9AMAOBAPPGAAMAPT
SCHEMBL5121663 0.79 MAOB (0.80) RAB9AMAOBAPPGAAMAPT
SCHEMBL31542030 0.79 MAOB (0.80) RAB9AMAOBAPPGAAMAPT

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
US-4332944-A Compositions and use ZOECON CORPORATION (US) 1982-06-01 US disclosed