SCHEMBL6856664

SCHEMBL6856664

COc1ccccc1[S+](c1ccc(C)cc1)c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RAB9A P51151 4/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
NFE2L2 Q16236 1/20 0.37
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL6850300 0.87 SMN1; SMN2 (0.39) TSHRMAPTMAPK1SMN1; SMN2GAA
SCHEMBL2092497 0.86 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL6855470 0.85 HTR6 (0.42) CA1CA2CA9CA12ALDH1A1
SCHEMBL31005134 0.82 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL2090403 0.82 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL31038383 0.81 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL2090462 0.81 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL31005158 0.81 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL5850133 0.80 KMT2A (0.40) CA1CA2CA9CA12ALDH1A1
Iodide SCHEMBL10951544 0.79 CA1 (0.57) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830868-B2 Useful as a chemically amplified resist responding to active radiation, for example ultraviolet rays such as a KrF excimer laser, ArF excimer laser, and F2 excimer laser JSR CORPORATION (JP) 2004-12-14 US disclosed
EP-1343048-A2 Anthracene derivative and radiation-sensitive resin composition JSR Corporation (JP) 2003-09-10 EP disclosed