SCHEMBL9836063

SCHEMBL9836063

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TTR P02766 1/20 0.49
IKBKB O14920 1/20 0.46
PTGS2 P35354 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOA P21397 9/20 0.45
KDM5A P29375 1/20 0.44
VKORC1 Q9BQB6 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9835674 0.85 PTGS2 (0.46) KDM4EGLAGAATTRIKBKB
SCHEMBL9834774 0.85 TTR (0.49) KDM4EGLAGAATTRIKBKB
SCHEMBL9837091 0.81 MEN1 (0.70) KDM4ETTRIKBKBPTGS2MEN1
SCHEMBL9834724 0.80 PTGS2 (0.61) KDM4EGLAIKBKBPTGS2MAOA
SCHEMBL9837104 0.80 IKBKB (0.63) GAATTRIKBKBPTGS2MEN1
SCHEMBL14701609 0.79 TTR (0.58) KDM4EGLATTRPTGS2MEN1
SCHEMBL10867018 0.78 TTR (0.49) KDM4EGLATTRIKBKBPTGS2
SCHEMBL9836628 0.78 MAOA (0.58) KDM4EGLAGAAIKBKBPTGS2
SCHEMBL9380709 0.76 TTR (0.49) KDM4EGLATTRIKBKBPTGS2
SCHEMBL10868147 0.76 PTGS2 (0.49) KDM4EGLATTRIKBKBPTGS2

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