SCHEMBL9835674

SCHEMBL9835674

C=CCc1c(O)c(Br)cc2c(=O)c3ccccc3oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
MAOA P21397 8/20 0.45
IKBKB O14920 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4E B2RXH2 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 1/20 0.41
TTR P02766 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9836063 0.85 KDM4E (0.49) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL9834774 0.85 TTR (0.49) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL9834724 0.80 PTGS2 (0.61) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL10867018 0.78 TTR (0.49) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL10868147 0.76 PTGS2 (0.49) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL9837415 0.76 MEN1 (0.51) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL9837091 0.76 MEN1 (0.70) PTGS2MAOAIKBKBKDM4ETTR
SCHEMBL9834639 0.73 IKBKB (0.61) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL9836628 0.73 MAOA (0.58) PTGS2MAOAIKBKBKDM5AKDM4E
SCHEMBL28194685 0.73 MAOA (0.46) MAOAIKBKBKDM5AKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175376-B1 XANTHONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1991-04-03 EP disclosed
US-4816479-A HYPOTENSIVE AGENTS, DIURETICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed
US-4661607-A ANTIEDEMIC AGENTS, HYPOTENSIVE AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1987-04-28 US disclosed
EP-0175376-A2 Xanthone derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1986-03-26 EP disclosed