SCHEMBL5405592

SCHEMBL5405592

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.35
CA1 P00915 11/20 0.35
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MAOB P27338 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4410697 0.99 CA2 (0.34) CA2CA1NPC1RAB9ALMNA
SCHEMBL3759051 0.94 CA1 (0.33) CA2CA1NPC1RAB9ALMNA
SCHEMBL448974 0.86 ALDH1A1 (0.38) CA2CA1NPC1RAB9ALMNA
SCHEMBL8038207 0.86 ALDH1A1 (0.38) CA2CA1NPC1RAB9ALMNA
SCHEMBL6567842 0.85 EEF2K (0.30)
SCHEMBL114859 0.85 ALDH1A1 (0.39) CA2CA1NPC1RAB9ALMNA
SCHEMBL3755831 0.84 CA1 (0.36) CA2CA1NPC1RAB9ALMNA
SCHEMBL548235 0.83 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL5409086 0.82 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL548591 0.82 KIF11 (0.38) 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