SCHEMBL5404728

SCHEMBL5404728

CC(C)c1ccc([S+](c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.O=S(=O)([O-])c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RORC P51449 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
CCNA1 P78396 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL5408783 0.96 NPSR1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL6285456 0.89 CNR2 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL5398479 0.87 NPSR1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL5398505 0.85 FFAR1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL5403631 0.84 NPSR1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL3192208 0.84 HSD11B1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL5400958 0.83 CA1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL5400807 0.81 FFAR1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL5408432 0.81 FFAR1 (0.51) CA1CA2MMP1MMP2MMP9
Silver SCHEMBL6114468 0.81 CA1 (0.59) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-6949329-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-27 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
EP-1406123-A1 RESIST COMPOSITIONS Wako Pure Chemical Industries, Ltd. (JP) 2004-04-07 EP disclosed
US-20030017425-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-01-23 US disclosed