SCHEMBL3202276

SCHEMBL3202276

COc1cc(C)ccc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 8/20 0.40
L3MBTL1 Q9Y468 7/20 0.40
HPGD P15428 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL3182131 0.86 ACHE (0.48) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL3203674 0.82 CA12 (0.48) ALDH1A1CYP3A4MAPTNPC1RAB9A
SCHEMBL3193274 0.81 ACHE (0.32) ACHECYP3A4MAPTL3MBTL1HPGD
SCHEMBL3192396 0.81 MAOB (0.48) ALDH1A1CYP3A4MAPTKDM4EMEN1
SCHEMBL2090403 0.79 CA1 (0.50) ALDH1A1CYP3A4MAPTL3MBTL1HPGD
SCHEMBL31005134 0.79 CA1 (0.50) ALDH1A1CYP3A4MAPTL3MBTL1HPGD
SCHEMBL424810 0.77 CYP2A6 (0.37) ACHEALDH1A1MAPTL3MBTL1HPGD
SCHEMBL3182804 0.76 KIF11 (0.38) ALDH1A1CYP3A4MAPTL3MBTL1HPGD
SCHEMBL3193969 0.76 TRPA1 (0.46) ACHEALDH1A1MAPTHPGDNPC1
SCHEMBL2092497 0.75 CA1 (0.50) ALDH1A1CYP3A4MAPTL3MBTL1HPGD

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