SCHEMBL5403631

SCHEMBL5403631

CCC(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
ALDH1A1 P00352 2/20 0.38

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 0.88 NPSR1 (0.44) NPSR1CA1CA2MMP1MMP2
SCHEMBL5404728 0.84 CA1 (0.44) NPSR1CA1CA2MMP1MMP2
SCHEMBL5400958 0.84 CA1 (0.51) NPSR1CA1CA2MMP1MMP2
SCHEMBL6282698 0.83 POLB (0.43) NPSR1CA1CA2MMP1MMP2
SCHEMBL5414606 0.83 NPSR1 (0.42) NPSR1CA1CA2MMP1MMP2
SCHEMBL5400807 0.82 FFAR1 (0.51) NPSR1CA1CA2MMP1MMP2
SCHEMBL5408432 0.82 FFAR1 (0.51) NPSR1CA1CA2MMP1MMP2
SCHEMBL5410115 0.81 TRPV1 (0.43) NPSR1CA1CA2MMP1MMP2
SCHEMBL5415242 0.81 CA1 (0.43) NPSR1CA1CA2MMP1MMP2
SCHEMBL5403637 0.80 NPSR1 (0.44) NPSR1CA1CA2MMP1MMP2

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 4 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