SCHEMBL9835666

SCHEMBL9835666

O=c1c2ccccc2oc2cc(OCCO)c(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ACSL1 P33121 2/20 0.49
ACSL6 Q9UKU0 2/20 0.49
MAOA P21397 5/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PGAM1 P18669 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AHR P35869 1/20 0.44
NMUR2 Q9GZQ4 1/20 0.44
TTR P02766 3/20 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
SCHEMBL9834498 0.84 ALDH1A1 (0.58) NPC1MEN1KMT2AACSL1ACSL6
SCHEMBL9836652 0.79 ALDH1A1 (0.54) NPC1MEN1KMT2AACSL1ACSL6
SCHEMBL10867690 0.78 MAOA (0.55) NPC1MEN1KMT2AACSL1ACSL6
SCHEMBL12240968 0.76 NPC1 (0.64) NPC1MEN1KMT2AACSL1ACSL6
SCHEMBL9836945 0.75 LMNA (0.65) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL6592785 0.74 KCNA3 (0.69) MEN1KMT2AALDH1A1
SCHEMBL30748196 0.72 XDH (0.67) NPC1ACSL1ACSL6MAOARAB9A
SCHEMBL9837311 0.72 MAOA (0.61) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL7331674 0.71 NPC1 (1.00) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL4708976 0.71 KDM4E (0.70) NPC1MEN1KMT2AKDM4EALDH1A1

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