SCHEMBL8919065

SCHEMBL8919065

CCc1cccc2ccc(=O)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA9 Q16790 4/20 0.56
DAO P14920 3/20 0.56
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
FLT3 P36888 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
DDO Q99489 1/20 0.37
GRIN2D O15399 1/20 0.36

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
SCHEMBL8921004 0.87 CA12 (0.51) CA12CA9DAOCA1CA3
SCHEMBL7453934 0.84 CA12 (0.49) CA12CA9DAOCA1CA3
SCHEMBL11497213 0.83 GPR84 (0.51) CA12CA9DAOGPR84
SCHEMBL21639517 0.83 CA12 (0.55) CA12CA9DAOCA1CA3
SCHEMBL19713086 0.82 CA12 (0.50) CA12CA9DAOCA1CA3
SCHEMBL29228066 0.79 CA12 (0.50) CA12CA9DAOCA1CA3
SCHEMBL433883 0.76 CA12 (0.60) CA12CA9DAOCA1CA3
SCHEMBL30063823 0.76 CA12 (0.60) CA12CA9DAOCA1CA3
SCHEMBL21639674 0.75 CA12 (0.50) CA12CA9CA1CA3CA4
SCHEMBL7264698 0.74 DAO (0.41) CA12CA9DAOCA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed