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SCHEMBL22422952

SCHEMBL22422952

COc1cc(/C=C/C(=O)OCCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.80
▸ ALOX5 P09917 6/20 0.67
▸ TTR P02766 2/20 0.62
▸ CA12 O43570 1/20 0.59
▸ CA4 P22748 1/20 0.59
▸ CA6 P23280 1/20 0.59
▸ HTR7 P34969 1/20 0.59
▸ CA5A P35218 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59
▸ CA5B Q9Y2D0 1/20 0.59

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
SCHEMBL22423039 0.91 APP (0.71) METALOX5TTR
SCHEMBL22422951 0.90 ALOX5 (0.68) METALOX5TTR
SCHEMBL20914992 0.90 ALOX5 (0.83) METALOX5TTR
SCHEMBL17459718 0.83 ALOX5 (0.67) METALOX5HTR7
SCHEMBL17459720 0.83 ALOX5 (0.67) METALOX5HTR7
SCHEMBL6336585 0.83 GAA (0.57) METALOX5
SCHEMBL6336586 0.83 GAA (0.57) METALOX5
SCHEMBL8772845 0.82 MAOB (0.68) METALOX5
SCHEMBL8772838 0.82 MAOB (0.68) METALOX5
SCHEMBL15884134 0.82 MET (0.68) METALOX5CA12CA4CA6

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
EP-3209639-B1 COMPOUNDS AS ANTI-MALARIALS AND THEIR PROCESS OF PREPARATION COUNCIL SCIENT IND RES (IN) 2020-09-16 — — EP disclosed