SCHEMBL3182152

SCHEMBL3182152

Cc1cccc([S+](c2ccccc2)c2cccc(C)c2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 4/20 0.38
ACHE P22303 3/20 0.38
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
AKR1B10 O60218 1/20 0.33
ABCB11 O95342 1/20 0.33
DHFR P00374 1/20 0.33
MPO P05164 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL31005100 1.00 TRPA1 (0.38) TRPA1ATMTSHRACHECYP1A2
SCHEMBL3203332 0.96 TRPA1 (0.38) TRPA1ATMTSHRACHECYP1A2
SCHEMBL7646743 0.84 TSHR (0.43) TSHRACHECYP1A2CYP2A6ALDH1A1
SCHEMBL31005149 0.84 TRPA1 (0.46) TRPA1ATMTSHRACHECYP1A2
SCHEMBL3190512 0.84 TRPA1 (0.46) TRPA1ATMTSHRACHECYP1A2
SCHEMBL423504 0.79 TSHR (0.43) TSHRACHECYP1A2CYP2A6ALDH1A1
SCHEMBL6916295 0.79 TRPA1 (0.35) TRPA1ATMTSHRACHECYP1A2
SCHEMBL3759626 0.78 TSHR (0.35) TSHRACHECYP1A2CYP2A6LMNA
Bromide SCHEMBL31555343 0.77 TSHR (0.41) TSHRACHECYP1A2CYP2A6ALDH1A1
Bromide SCHEMBL3135269 0.77 TSHR (0.41) TSHRACHECYP1A2CYP2A6ALDH1A1

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
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed