SCHEMBL9836628

SCHEMBL9836628

C=CCc1c(O)c(Cl)c(C)c2c(=O)c3ccccc3oc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.58
IKBKB O14920 1/20 0.49
KDM5A P29375 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 2/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
PTPN1 P18031 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.40
VKORC1 Q9BQB6 1/20 0.40
NUDT1 P36639 1/20 0.39
EGFR P00533 1/20 0.39
GLA P06280 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
SCHEMBL9834639 0.80 IKBKB (0.61) MAOAIKBKBKDM5AMEN1KMT2A
SCHEMBL9837104 0.79 IKBKB (0.63) MAOAIKBKBKDM5AMEN1KMT2A
SCHEMBL9834774 0.78 TTR (0.49) MAOAIKBKBKDM5AMEN1KMT2A
SCHEMBL9836063 0.78 KDM4E (0.49) MAOAIKBKBKDM5AMEN1KMT2A
SCHEMBL9835674 0.73 PTGS2 (0.46) MAOAIKBKBKDM5AMEN1KMT2A
SCHEMBL9837091 0.73 MEN1 (0.70) MAOAIKBKBMEN1KMT2APTGS2
SCHEMBL9837415 0.73 MEN1 (0.51) MAOAIKBKBKDM5AMEN1KMT2A
SCHEMBL5677951 0.72 MAOA (0.47) MAOAIKBKBMEN1KMT2AKDM4E
SCHEMBL9834724 0.72 PTGS2 (0.61) MAOAIKBKBKDM5APTGS2KDM4E
SCHEMBL25196944 0.71 IKBKB (0.72) MAOAIKBKBKDM5ARELAGAA

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