SCHEMBL11147828

SCHEMBL11147828

Nc1ccc(OCc2ccccc2)c(=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.59
MAPT P10636 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
RAB9A P51151 3/20 0.59
MAOA P21397 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
LTA4H P09960 1/20 0.53
MAPK14 Q16539 1/20 0.53
CYP19A1 P11511 2/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSTP1 P09211 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NPC1 O15118 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL23258867 0.83 MAPT (0.59) MAOBMAPTL3MBTL1MAOALTA4H
SCHEMBL23258693 0.82 L3MBTL1 (0.51) MAOBMAPTL3MBTL1RAB9AMAOA
SCHEMBL23258799 0.82 MAPT (0.55) MAOBMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL23258431 0.82 RAB9A (0.49) MAOBMAPTL3MBTL1RAB9AMAOA
SCHEMBL23258790 0.82 APP (0.55) MAOBMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL23259192 0.82 PTGER1 (0.50) MAPTL3MBTL1RAB9ASMN1; SMN2MAPK14
SCHEMBL5659691 0.78 MAOB (0.58) MAOBMAPTL3MBTL1RAB9AMAOA
SCHEMBL29194060 0.77 MAOB (0.61) MAOBMAPTL3MBTL1RAB9AMAOA
Hydrochloric Acid SCHEMBL11596441 0.76 GAA (0.56) MAOBMAPTL3MBTL1RAB9AMAOA
SCHEMBL11372714 0.76 MAPT (0.56) MAOBMAPTL3MBTL1RAB9AMAOA

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-4382088-A DIABETIC COMPLICATIONS, ALDOSE REDUCTASE INHIBITORS AYERST, MCKENNA & HARRISON, INC. (CA) 1983-05-03 US disclosed