SCHEMBL28117907

SCHEMBL28117907

CCCCCCCCCCCCC1COC(C=O)OC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
SPHK1 Q9NYA1 4/20 0.38
SPHK2 Q9NRA0 3/20 0.38
ENPP2 Q13822 5/20 0.35
LPAR2 Q9HBW0 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL6515159 0.92 CYP1A2 (0.39) ALDH1A1EPHX1CYP1A2TDP1HTT
SCHEMBL28261745 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27813046 0.79 ALDH1A1 (0.60) ALDH1A1EPHX1CYP1A2TDP1ENPP2
SCHEMBL28241406 0.79 ALDH1A1 (0.60) ALDH1A1EPHX1CYP1A2TDP1ENPP2
SCHEMBL28055861 0.79 ALDH1A1 (0.60) ALDH1A1EPHX1CYP1A2TDP1ENPP2
SCHEMBL6530263 0.76 ALDH1A1 (0.57) ALDH1A1EPHX1CYP1A2TDP1ENPP2
SCHEMBL24562883 0.76 ALDH1A1 (0.61) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL27889209 0.76 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL9617852 0.74 ALDH1A1 (0.58) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL11727901 0.73 ALDH1A1 (0.56) ALDH1A1EPHX1CYP1A2TDP1SPHK1

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
CN-103764708-B Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate 东洋油墨SC控股株式会社 2016-12-14 CN disclosed