SCHEMBL9834724

SCHEMBL9834724

C=CCc1c(O)ccc2c(=O)c3ccccc3oc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.61
MAOA P21397 10/20 0.56
KDM5A P29375 1/20 0.51
SRD5A1 P18405 1/20 0.51
IKBKB O14920 1/20 0.50
APAF1 O14727 1/20 0.48
NSD2 O96028 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PGAM1 P18669 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL10868147 0.85 PTGS2 (0.49) PTGS2MAOAKDM5AIKBKBKDM4E
SCHEMBL9837057 0.82 SRD5A1 (0.47) PTGS2MAOAKDM5ASRD5A1IKBKB
SCHEMBL9836052 0.82 SRD5A1 (0.47) PTGS2MAOAKDM5ASRD5A1IKBKB
SCHEMBL9834639 0.80 IKBKB (0.61) PTGS2MAOAKDM5ASRD5A1IKBKB
SCHEMBL9836063 0.80 KDM4E (0.49) PTGS2MAOAKDM5AIKBKBKDM4E
SCHEMBL9834774 0.80 TTR (0.49) PTGS2MAOAKDM5AIKBKBKDM4E
SCHEMBL9835674 0.80 PTGS2 (0.46) PTGS2MAOAKDM5AIKBKBKDM4E
SCHEMBL9837104 0.79 IKBKB (0.63) PTGS2MAOAKDM5AIKBKB
SCHEMBL3268638 0.77 KDM4E (0.56) PTGS2MAOAKDM5AKDM4EALDH1A1
SCHEMBL10867018 0.77 TTR (0.49) PTGS2MAOAKDM5AIKBKBKDM4E

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