SCHEMBL9834499

SCHEMBL9834499

COc1ccc(C#CCOCC#Cc2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.53
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ MCHR1 Q99705 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ACACB O00763 2/20 0.40
▸ ACHE P22303 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL20702293 0.84 APP (0.43) APPCA12CA1CA2CA7
SCHEMBL6201292 0.84 APP (0.55) APPCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL7227554 0.82 APP (0.53) APPCA12CA1CA2CA7
SCHEMBL18980593 0.82 APP (0.41) APPCA12CA1CA2CA7
SCHEMBL18980591 0.82 APP (0.41) APPCA12CA1CA2CA7
SCHEMBL10102350 0.81 APP (0.55) APPCA12CA1CA2CA7
SCHEMBL674764 0.79 APP (0.77) APPCA12CA1CA2CA7
SCHEMBL10300057 0.79 APP (0.77) APPCA12CA1CA2CA7
SCHEMBL7573542 0.79 APP (0.59) APPCA12CA1CA2CA7
SCHEMBL9332942 0.79 APP (0.59) APPCA12CA1CA2CA7

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
EP-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 — — EP disclosed
EP-0161218-A2 Benzo-(pyrano and thiopyrano)pyridines CIBA-GEIGY AG (CH) 1985-11-13 — — EP disclosed
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