SCHEMBL27488458

SCHEMBL27488458

CCCCCS(=O)(=O)O.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 2/20 0.40
MYC P01106 1/20 0.39
EPHX2 P34913 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Hexane SCHEMBL28001650 0.92 CA12 (0.46) CA12CA9KEAP1NFE2L2RAPGEF4
Octane SCHEMBL27658056 0.90 RECQL (0.47) CA12CA9RAPGEF4ALDH1A1MAPT
SCHEMBL28247980 0.88 RAPGEF4 (0.44) CA12CA9KEAP1NFE2L2RAPGEF4
SCHEMBL11773396 0.88 ALDH1A1 (0.38) CA12CA9KEAP1NFE2L2ALDH1A1
O-Xylene SCHEMBL27711144 0.86 S1PR2 (0.44) ALDH1A1RECQLHTTEPHX2S1PR1
O-Xylene SCHEMBL27912671 0.86 S1PR2 (0.44) ALDH1A1RECQLHTTEPHX2S1PR1
SCHEMBL29170927 0.86 RECQL (0.42) CA12CA9KEAP1NFE2L2RAPGEF4
O-Xylene SCHEMBL28909383 0.85 S1PR2 (0.43) ALDH1A1RECQLHTTEPHX2S1PR1
SCHEMBL7859160 0.84 RAPGEF4 (0.49) CA9KEAP1NFE2L2RAPGEF4ALDH1A1
Tetrabuthylammonium SCHEMBL2938854 0.84 CA12 (0.41) CA12CA9KEAP1NFE2L2RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107132731-A The manufacture method of photosensitive transfer printing material and wiring 富士胶片株式会社 2017-09-05 CN disclosed
CN-106959585-A The manufacture method of positive light sensitivity transfer materials and wiring 富士胶片株式会社 2017-07-18 CN disclosed
CN-1196069-A Phenolic polymers made by aralkylation reactions GEORGIA PACIFIC RESINS (US) 1998-10-14 CN disclosed