SCHEMBL3202895

SCHEMBL3202895

Cc1cccc(C)c1[S+](c1ccccc1)c1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
TSHR P16473 3/20 0.43
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 4/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MYC P01106 1/20 0.32
TRPA1 O75762 2/20 0.32
CD44 P16070 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3189215 0.95 ACHE (0.43) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL3183538 0.81 CYP1A2 (0.40) ACHETSHRCYP2A6CYP1A2LMNA
SCHEMBL156027 0.81 CYP1A2 (0.47) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL3195327 0.81 TRPA1 (0.45) ACHETSHRCYP1A2ALDH1A1CA2
SCHEMBL3195480 0.78 CA1 (0.43) ACHETSHRCYP1A2ALDH1A1CA1
SCHEMBL424812 0.76 CYP1A2 (0.40) ACHETSHRCYP2A6CYP1A2LMNA
SCHEMBL3202934 0.76 ALDH1A1 (0.50) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL7646743 0.75 TSHR (0.43) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL423504 0.75 TSHR (0.43) ACHETSHRCYP2A6CYP1A2ALDH1A1
Bromide SCHEMBL3144004 0.75 CYP1A2 (0.39) ACHETSHRCYP2A6CYP1A2LMNA

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
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