SCHEMBL6945281

SCHEMBL6945281

CCOC(=O)CC(O)c1cccc2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
F10 P00742 1/20 0.40
NTRK1 P04629 2/20 0.39
MMP2 P08253 1/20 0.38
F2 P00734 1/20 0.38
NTRK2 Q16620 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALOX5 P09917 1/20 0.37
CACNA1G O43497 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL6948771 0.92 MAPT (0.43) MAPTHSD17B10KDM4ELMNAALDH1A1
SCHEMBL7653164 0.92 ALDH1A1 (0.42) MAPTHSD17B10NPC1RAB9AKDM4E
SCHEMBL6950396 0.91 MAPT (0.48) MAPTHSD17B10NPC1RAB9AKDM4E
SCHEMBL7650918 0.90 NPC1 (0.40) MAPTNPC1RAB9AKDM4ELMNA
Hydrochloric Acid SCHEMBL6953896 0.90 MAPT (0.47) MAPTHSD17B10NPC1RAB9AKDM4E
SCHEMBL6953839 0.90 POLB (0.42) MAPTHSD17B10NPC1RAB9AALDH1A1
SCHEMBL6952449 0.89 MMP2 (0.45) MAPTHSD17B10NPC1RAB9AKDM4E
SCHEMBL7656015 0.88 ALDH1A1 (0.42) MAPTHSD17B10NPC1RAB9AKDM4E
SCHEMBL7657259 0.87 NPC1 (0.39) MAPTHSD17B10NPC1RAB9AKDM4E
SCHEMBL7649497 0.87 NPC1 (0.41) MAPTNPC1RAB9ANTRK1MMP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210060158-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-04 US claimed
EP-3684410-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY Institut Curie (FR) 2020-07-29 EP claimed
WO-2019057744-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSTITUT CURIE (FR) 2019-03-28 WO claimed
US-20230152314-A1 LIPOCALIN-2 ASSAY FOR INTESTINAL ADAPTATION THE JOHNS HOPKINS UNIVERSITY 2023-05-18 US disclosed
US-20210060158-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-04 US disclosed
EP-3684410-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY Institut Curie (FR) 2020-07-29 EP disclosed
WO-2019057744-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSTITUT CURIE (FR) 2019-03-28 WO disclosed
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed