SCHEMBL9836775

SCHEMBL9836775

C=CCc1cc2c(=O)c3c(F)cccc3oc2c(Cl)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 4/20 0.40
SRD5A1 P18405 1/20 0.37
EGFR P00533 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
TP53 P04637 1/20 0.35
ALOX5 P09917 1/20 0.35
AR P10275 1/20 0.34
IKBKB O14920 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PTPN1 P18031 1/20 0.34
MAPK1 P28482 1/20 0.34
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
TTR P02766 1/20 0.33
NMUR2 Q9GZQ4 1/20 0.33

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
SCHEMBL9836830 0.89 TTR (0.44) MEN1KMT2AMAOASRD5A1EGFR
SCHEMBL9836158 0.87 MEN1 (0.58) MEN1KMT2AMAOASRD5A1ESR1
SCHEMBL9837415 0.84 MEN1 (0.51) MEN1KMT2AMAOAIKBKBKDM4E
SCHEMBL9837057 0.74 SRD5A1 (0.47) MAOASRD5A1EGFRESR1ESR2
SCHEMBL9837184 0.73 ESR1 (0.52) MAOAEGFRESR1ESR2
SCHEMBL9837091 0.70 MEN1 (0.70) MEN1KMT2AMAOAESR1ESR2
SCHEMBL9836115 0.70 ESR2 (0.51) MAOAEGFRESR1ESR2GAA
SCHEMBL9837177 0.66 PTPN1 (0.48) MEN1KMT2AMAOAEGFRESR1
SCHEMBL9837040 0.66 LMNA (0.51) MEN1KMT2AMAOAEGFRESR1
SCHEMBL9836052 0.65 SRD5A1 (0.47) MAOASRD5A1EGFRIKBKBTTR

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