SCHEMBL8728613

SCHEMBL8728613

NOC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 4/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 1/20 0.41
PLAU P00749 1/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
PDE7A Q13946 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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
SCHEMBL2777973 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL626087 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL9679556 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL8728605 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL10466262 0.78 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL3326982 0.78 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL384635 0.78 CYP1A2 (0.50) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL18912100 0.78 CYP1A2 (0.53) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL7775829 0.78 CYP1A2 (0.58) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL4078018 0.77 CYP1A2 (0.56) ALDH1A1CYP1A2TSHRTDP1HSD17B10

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 3 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