SCHEMBL9475495

SCHEMBL9475495

COc1ccc(CSc2ccc(O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.70
MAOB P27338 3/20 0.64
MAOA P21397 2/20 0.64
CALM1 P0DP23 1/20 0.58
DAO P14920 2/20 0.56
LTA4H P09960 1/20 0.52
ESR2 Q92731 1/20 0.52
IDO1 P14902 2/20 0.50
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL3228582 0.91 APP (0.82) APPMAOBMAOADAOIDO1
SCHEMBL19059386 0.85 APP (0.74) APPMAOBMAOADAOIDO1
SCHEMBL11044221 0.85 APP (0.74) APPMAOBMAOADAOIDO1
SCHEMBL3241580 0.84 MEN1 (0.50) APPMAOBMAOAESR2MAPT
SCHEMBL28526426 0.84 APP (0.72) APPMAOBMAOADAOHDAC3
SCHEMBL23961327 0.83 CALM1 (0.63) APPCALM1LTA4HESR2IDO1
SCHEMBL8406865 0.83 CALM1 (0.63) APPCALM1DAOLTA4HESR2
SCHEMBL18475586 0.82 APP (1.00) APPMAOBMAOADAOIDO1
SCHEMBL12945246 0.82 APP (0.70) APPMAOBMAOADAOIDO1
SCHEMBL11044220 0.82 APP (0.70) APPMAOBMAOADAOIDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254578-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1993-10-19 US disclosed
EP-0482931-A1 Benzopyran derivatives having anti-hypertensive and vasodilatory activity, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-04-29 EP disclosed