SCHEMBL28045044

SCHEMBL28045044

CCPc1cccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 4/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28226718 0.83 TRPA1 (0.37) TRPA1ATMKEAP1NFE2L2CYP1A2
SCHEMBL7563201 0.81 TSHR (0.43) CYP1A2CYP2A6MAPTTSHRALDH1A1
SCHEMBL28045051 0.79 TRPA1 (0.34) TRPA1ATMKEAP1NFE2L2CYP1A2
SCHEMBL27932023 0.79
SCHEMBL28227589 0.78 TLR8 (0.35) TRPA1ATMKEAP1NFE2L2RAPGEF4
SCHEMBL28045144 0.77 CNR1 (0.37) TRPA1ATMMAPK1ALDH1A1TP53
SCHEMBL28045054 0.77 CNR1 (0.37) TRPA1ATMMAPK1ALDH1A1TP53
SCHEMBL31507262 0.75 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2CYP1A2
SCHEMBL4256593 0.75 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2CYP1A2
SCHEMBL30616086 0.75 TP53 (0.36) TSHRACHETP53

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-105163853-B The manufacturing method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2018-06-12 CN disclosed
CN-105121013-B The manufacture method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2017-10-20 CN disclosed
CN-105163853-A Method for manufacturing catalyst for synthesizing cyclic carbonate MARUZEN PETROCHEM CO LTD 2015-12-16 CN disclosed
CN-105163854-A Method for producing catalyst for synthesizing cyclic carbonate NAT INST OF ADVANCED IND SCIEN 2015-12-16 CN disclosed
CN-105121013-A Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEM CO LTD 2015-12-02 CN disclosed