SCHEMBL9834846

SCHEMBL9834846

O=c1c2cc(Cl)ccc2oc2c(Cl)c(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.54
TTR P02766 3/20 0.52
ACE P12821 1/20 0.51
ADORA3 P0DMS8 2/20 0.48
PTGS2 P35354 1/20 0.48
MKNK2 Q9HBH9 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
NQO1 P15559 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9836803 0.89 TTR (0.54) AHRTTRACEPTGS2CSNK2A2
SCHEMBL15346134 0.82 ATP1A1 (0.64) ACEPTGS2CSNK2A2CSNK2BCSNK2A1
SCHEMBL9836624 0.81 PTGS2 (0.71) TTRADORA3PTGS2KDM4EMAPT
SCHEMBL4092241 0.78 TTR (0.71) AHRTTRADORA3MKNK2NQO1
SCHEMBL9837206 0.75 TDP1 (0.50) AHRTTRADORA3KDM4EMEN1
SCHEMBL28889872 0.75 CYP1A1 (0.53) AHRTTRADORA3KDM4EMAPT
SCHEMBL9837623 0.73 MAOA (0.54) TTRACEPTGS2CSNK2A2CSNK2B
SCHEMBL11395077 0.73 MAOA (0.73) AHRTTRACEPTGS2ATP1A1
SCHEMBL26450456 0.72 AHR (0.57) AHRCSNK2A2CSNK2BCSNK2A1NQO1
SCHEMBL9837036 0.72 ATP1A1 (0.55) AHRTTRACEPTGS2CSNK2A2

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