SCHEMBL9836575

SCHEMBL9836575

O=C(O)C(Cl)Oc1ccc2c(=O)c3c(F)cccc3oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ IGLV6-57 P01721 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ ESR2 Q92731 1/20 0.40

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
SCHEMBL9834510 0.84 MAOA (0.59) TTRALDH1A1HPGDMEN1KMT2A
SCHEMBL9835886 0.80 AKR1C3 (0.57) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9836863 0.74 MAOA (0.64) ALDH1A1HPGDMEN1KMT2AKDM4E
Acetic Acid SCHEMBL30589868 0.71 MAOA (0.57) TTRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9282004 0.70 MAOA (0.63) ALDH1A1HPGDKDM4EHSD17B10MAOA
SCHEMBL20317224 0.69 AR (0.45) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9834780 0.69 ALDH1A1 (0.64) TTRALDH1A1HPGDMEN1KMT2A
SCHEMBL9836010 0.69 MAOA (0.59) TTRALDH1A1HPGDMEN1KMT2A
SCHEMBL20346671 0.68 MAOA (0.56) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9837177 0.68 PTPN1 (0.48) TTRMEN1KMT2AMAOAESR1

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
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