SCHEMBL9836748

SCHEMBL9836748

Cc1cc2oc3ccccc3c(=O)c2cc1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
NPC1 O15118 3/20 0.57
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.52
ACSL1 P33121 2/20 0.51
ACSL6 Q9UKU0 2/20 0.51
POLB P06746 2/20 0.49
TTR P02766 3/20 0.49
TBK1 Q9UHD2 1/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL9836782 0.95 KMT2A (0.57) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL9836652 0.85 ALDH1A1 (0.54) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL9836000 0.82 NPC1 (0.53) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL9834498 0.82 ALDH1A1 (0.58) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL1247012 0.79 LMNA (0.82) KMT2ANPC1MEN1KDM4EALDH1A1
SCHEMBL9837487 0.79 LMNA (0.72) KMT2ANPC1KDM4EALDH1A1GAA
SCHEMBL6859087 0.78 MAOA (0.60) KMT2AKDM4EALDH1A1GAALMNA
SCHEMBL9836804 0.78 MAOA (0.56) NPC1KDM4EALDH1A1GAALMNA
SCHEMBL9834762 0.77 LMNA (0.57) KMT2AKDM4EALDH1A1GAALMNA
SCHEMBL9836140 0.76 ALDH1A1 (0.50) KMT2ANPC1MEN1KDM4EALDH1A1

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