SCHEMBL9837206

SCHEMBL9837206

O=C(O)COc1ccc2c(=O)c3cc(Cl)ccc3oc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
TTR P02766 3/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
PTGDR2 Q9Y5Y4 6/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
AHR P35869 1/20 0.44
PTGDR Q13258 3/20 0.43
LTB4R Q15722 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9836544 0.92 TDP1 (0.51) TDP1TTRMAPTTSHRPTGDR2
SCHEMBL9837083 0.85 ALDH1A1 (0.54) TTRALDH1A1NPC1RAB9AKMT2A
SCHEMBL9835732 0.79 TTR (0.48) TDP1TTRPTGDR2ALDH1A1KMT2A
SCHEMBL9837627 0.78 TTR (0.51) TDP1TTRMAPTTSHRPTGDR2
SCHEMBL9836783 0.77 PTGDR2 (0.41) TDP1TTRPTGDR2ALDH1A1KDM4E
SCHEMBL9834846 0.75 AHR (0.54) TTRMAPTMEN1KMT2AAHR
SCHEMBL30668699 0.72 KDM4E (0.61) ALDH1A1NPC1RAB9AKMT2ALTB4R
SCHEMBL9837024 0.71 KDM4E (0.52) TTRMAPTALDH1A1MEN1NPC1
SCHEMBL9836804 0.71 MAOA (0.56) TTRALDH1A1NPC1RAB9ALTB4R
SCHEMBL11250401 0.71 FFAR4 (0.58) TDP1MAPTTSHRPTGDR2PTGDR

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