SCHEMBL28306010

SCHEMBL28306010

C=CCC(O)COC.C=COCCC

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1935132 0.86
SCHEMBL9611252 0.86
SCHEMBL1935136 0.86
Vinyl Ether SCHEMBL28326145 0.82 CYP3A4 (0.34) CA1CA2CA7CYP3A4TSHR
SCHEMBL28330591 0.82 CYP3A4 (0.30) CYP3A4TSHRCYP2C19
SCHEMBL11513826 0.80 HSD17B10 (0.52) CA1CA2CA7HSD17B10CYP3A4
SCHEMBL13421955 0.76 USP2 (0.52) CA1CA2CA7HSD17B10CYP3A4
SCHEMBL13841203 0.76 USP2 (0.52) CA1CA2CA7HSD17B10CYP3A4
SCHEMBL7928161 0.76 USP2 (0.52) CA1CA2CA7HSD17B10CYP3A4
SCHEMBL28306011 0.75

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-106104859-B Slurry for positive electrode of lithium ion secondary battery, method for producing same, lithium ion secondary battery, and method for producing positive electrode of lithium ion secondary battery 日本瑞翁株式会社 2019-07-16 CN disclosed