SCHEMBL29475280

SCHEMBL29475280

CC(C)(C)c1c(O)cccc1Cc1cccc(O)c1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.50
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA2 P00918 3/20 0.38
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.36
IAPP P10997 1/20 0.36
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL27491083 0.87 BCL2 (0.50) HSPA5TSHRALDH1A1TDP1KEAP1
SCHEMBL10715136 0.85 GABRA1 (0.41) HSPA5GABRA1GABRB2TSHRALDH1A1
SCHEMBL6407131 0.85 GABRA1 (0.58) HSPA5GABRA1GABRB2TSHRALDH1A1
SCHEMBL7145211 0.82 GABRA1 (0.39) HSPA5GABRA1GABRB2TSHRALDH1A1
SCHEMBL8196597 0.82 GABRA1 (0.43) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL9558632 0.82 HSPA5 (0.45) HSPA5GABRA1GABRB2TSHRALDH1A1
SCHEMBL2712175 0.81 HSPA5 (0.36) HSPA5GABRA1GABRB2TSHRALDH1A1
SCHEMBL419708 0.81 ALDH1A1 (0.52) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL6561982 0.80 ALDH1A1 (0.37) HSPA5TSHRALDH1A1TDP1CYP2D6
SCHEMBL29399700 0.80 ALDH1A1 (0.37) HSPA5TSHRALDH1A1TDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109679717-B Compressor lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-06-24 CN disclosed
CN-109679721-B Industrial lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109679743-B Fully synthetic industrial gear lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109679723-B Turbine lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109679710-B Hydraulic oil composition and preparation method thereof 中国石油化工股份有限公司 2022-03-11 CN disclosed