SCHEMBL27632552

SCHEMBL27632552

C=Cc1c(C)ccc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
PDXK O00764 1/20 0.35
SLC22A8 Q8TCC7 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
TP53 P04637 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 3/20 0.33
AR P10275 3/20 0.33
ESR2 Q92731 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11357258 0.86 ALDH1A1 (0.42) TRPA1PDXKSLC22A8SLC22A6ALDH1A1
SCHEMBL7746074 0.82 SLC22A8 (0.45) TRPA1PDXKSLC22A8SLC22A6TP53
SCHEMBL27600404 0.79 ALDH1A1 (0.40) TP53TDP1ALDH1A1LMNAGAA
SCHEMBL4366147 0.77 TRPA1 (0.39) TRPA1PDXKSLC22A8SLC22A6TP53
SCHEMBL4650198 0.77 CYP3A4 (0.44) TRPA1TP53ALDH1A1KDM4ELMNA
SCHEMBL12978557 0.77 ALDH1A1 (0.37) PDXKTP53TDP1ALDH1A1CYP1A2
SCHEMBL28622388 0.75 GABRA1 (0.43) TRPA1ALDH1A1LMNAGAACYP1A2
SCHEMBL10041477 0.74 SLC22A8 (0.33) TRPA1SLC22A8TDP1ESR1ESR2
SCHEMBL5434329 0.73 TRPA1 (0.50) TRPA1TP53TDP1ESR1ESR2
SCHEMBL29832777 0.73 TRPA1 (0.50) TRPA1TP53TDP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102337005-B Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND 2013-06-12 CN disclosed
CN-102337005-A Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND 2012-02-01 CN disclosed
CN-101831142-B Resin composition, preparation method thereof, and cured formulation NIPPON SHOKUBAI CO.,LTD. (JP) 2012-02-01 CN disclosed
CN-101831142-A Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND 2010-09-15 CN disclosed
CN-1730548-B Resin composition, method for producing same, and cured product NIPPON CATALYTIC CHEM IND 2010-06-16 CN disclosed
CN-101035866-A Resin composition for optical packaging material, method for producing the same, optical packaging material, optical packaging member, and optical module NIPPON CATALYTIC CHEM IND (JP) 2007-09-12 CN disclosed
CN-1730548-A Resin composition, method for producing same, and cured product NIPPON CATALYTIC CHEM IND (JP) 2006-02-08 CN disclosed