SCHEMBL5401436

SCHEMBL5401436

CCCc1ccc([I+]c2ccc(CCC)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.41
CA1 P00915 10/20 0.41
FFAR4 Q5NUL3 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5400395 0.99 CA2 (0.42) CA2CA1FFAR4MMP1MMP2
SCHEMBL4025773 0.91 CA2 (0.42) CA2CA1FFAR4SMN1; SMN2
SCHEMBL5406991 0.89 CA2 (0.39) CA2CA1FFAR4MMP1MMP2
SCHEMBL5409086 0.87 CA2 (0.40) CA2CA1MMP1MMP2MMP9
Toliodium SCHEMBL2895493 0.81 TLR9 (0.39) CA2CA1MMP1MMP2MMP9
Toliodium SCHEMBL2897584 0.80 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL4410697 0.80 CA2 (0.34) CA2CA1LMNASMN1; SMN2
SCHEMBL1801410 0.79 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL5405592 0.78 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL114859 0.78 ALDH1A1 (0.39) CA2CA1MMP1MMP2MMP9

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
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-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