SCHEMBL28996201

SCHEMBL28996201

Oc1ccc(CSCc2ccc(O)c(O)c2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
ALOX15 P16050 5/20 0.56
IGF1R P08069 2/20 0.56
TRPA1 O75762 2/20 0.56
MIF P14174 1/20 0.55
KDM4E B2RXH2 6/20 0.54
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 3/20 0.54
ALOX5 P09917 2/20 0.54
BACE1 P56817 1/20 0.54
MAPK1 P28482 4/20 0.52
RECQL P46063 4/20 0.52
HIF1A Q16665 4/20 0.52
HSD17B10 Q99714 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
TP53 P04637 3/20 0.52

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
SCHEMBL19359681 0.87 TRPA1 (0.59) CA1CA2CA4CA6ALOX15
SCHEMBL6820262 0.83 TRPA1 (0.61) CA1CA2CA4CA6ALOX15
SCHEMBL6922223 0.82 XDH (0.58) CA1CA2CA4CA6ALOX15
SCHEMBL20821109 0.81 TRPA1 (0.58) CA1CA2CA4CA6ALOX15
SCHEMBL6824104 0.80 TRPA1 (0.52) CA1CA2CA4CA6ALOX15
SCHEMBL6922835 0.79 ALOX15 (0.50) CA1CA2CA4CA6ALOX15
SCHEMBL6918340 0.79 TRPA1 (0.50) CA1CA2CA4CA6ALOX15
SCHEMBL6922690 0.76 ALOX15 (0.57) CA1CA2CA4CA6ALOX15
SCHEMBL108093 0.76 CA1 (1.00) CA1CA2CA4CA6ALOX15
SCHEMBL107956 0.76 ALOX15 (0.80) CA1CA2CA4CA6ALOX15

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-111433335-B Lubricant composition and lubricating oil composition containing the same 株式会社ADEKA 2023-05-02 CN disclosed