SCHEMBL8723683

SCHEMBL8723683

[NH]OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.53
MAOB P27338 1/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL12006800 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL77922 0.84 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL1542530 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937015 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL23091898 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL291637 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL18033994 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL1520430 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL22590899 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL261866 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB

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-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0214708-B1 GRISEOLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE SANKYO COMPANY LIMITED (JP) 1989-12-13 EP disclosed