SCHEMBL27590087

SCHEMBL27590087

Cc1c(O)cccc1C=Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.68
▸ PTGS1 P23219 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ TTR P02766 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ RELA Q04206 1/20 0.47
▸ NFE2L2 Q16236 3/20 0.47
▸ ABL1 P00519 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ AHR P35869 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL26746374 1.00 TRPA1 (0.68) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL27992 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL30218372 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
Benzene SCHEMBL27382741 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL3464547 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL27991 0.81 TRPA1 (1.00) TRPA1NFE2L2ABL1ABCB1BCR
SCHEMBL717978 0.80 TRPA1 (0.73) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL9743428 0.80 TRPA1 (0.73) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL842427 0.80 NFE2L2 (0.50) TRPA1PTGS1PTGS2TTRALOX5
SCHEMBL842428 0.80 NFE2L2 (0.50) TRPA1PTGS1PTGS2TTRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104011088-A EMULSIFYING AGENT FOR EMULSION POLYMERIZATION, AND EMULSION POLYMERIZATION METHOD USING SAME DAI ICHI KOGYO SEIYAKU CO LTD 2014-08-27 — — CN disclosed
CN-103333870-A Perhydrolase enzyme DANISCO AMERICA INC 2013-10-02 — — CN disclosed
CN-102399380-A Polymer sheet for inner liner, polymer laminate for inner liner, and pneumatic tire SUMITOMO RUBBER IND 2012-04-04 — — CN disclosed
CN-101421383-B surface active bleach and dynamic pH GENENCOR INTERNATIONAL, INC. (US) 2011-12-14 — — CN disclosed
CN-1981035-B Perhydrolase GENENCOR INT 2011-06-08 — — CN disclosed
CN-101421383-A Surface active bleach and dynamic pH GENENCOR INT (US) 2009-04-29 — — CN disclosed
CN-1981035-A Perhydrolase GENENCOR INT (US) 2007-06-13 — — CN disclosed
CN-1408005-A Elastic articles and uses thereof PROCTER & GAMBLE (US) 2003-04-02 — — CN disclosed
Send feedback