SCHEMBL9837103

SCHEMBL9837103

O=C(O)COc1c(Cl)cc2c(=O)c3ccccc3oc2c1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 4/20 0.57
GAA P10253 2/20 0.57
TTR P02766 4/20 0.54
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.47
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 1/20 0.46
HIF1A Q16665 1/20 0.45
AHR P35869 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
ACSL1 P33121 2/20 0.44
ACSL6 Q9UKU0 2/20 0.44

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
SCHEMBL9837083 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EGAATTRPOLB
SCHEMBL9834498 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EGAATTRPOLB
SCHEMBL30668699 0.77 KDM4E (0.61) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL9836652 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EGAATTRPOLB
SCHEMBL15200490 0.75 TTR (0.47) ALDH1A1KDM4ETTRPOLBLMNA
SCHEMBL9837181 0.75 MAOA (0.58) ALDH1A1KDM4ETTRLMNAKMT2A
SCHEMBL9835701 0.75 LMNA (0.57) ALDH1A1KDM4EGAATTRPOLB
SCHEMBL9836869 0.73 LMNA (0.59) ALDH1A1KDM4EGAATTRPOLB
SCHEMBL30758575 0.73 KDM4E (1.00) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL28106459 0.73 KDM4E (1.00) ALDH1A1KDM4EGAAPOLBLMNA

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