SCHEMBL9242510

SCHEMBL9242510

COC(=O)Oc1ccccc1C=Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.62
TRPA1 O75762 2/20 0.62
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP1A1 P04798 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP1B1 Q16678 3/20 0.46
TFEB P19484 1/20 0.46
EGFR P00533 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
BCHE P06276 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 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
SCHEMBL8901347 0.92 KDM4E (0.58) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL8900889 0.89 NFE2L2 (0.49) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL8901624 0.86 NFE2L2 (0.59) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL8900072 0.86 NFE2L2 (0.59) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL26667032 0.84 GAA (0.60) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL4982109 0.83 NFE2L2 (0.61) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL4982103 0.83 NFE2L2 (0.61) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL9244563 0.83 NFE2L2 (0.59) NFE2L2TRPA1KDM4ECYP1A1CYP1A2
SCHEMBL1665178 0.81 HPGD (0.58) NFE2L2KDM4EHPGDHSD17B10CYP1A2
SCHEMBL12095299 0.79 NFE2L2 (0.51) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US disclosed