SCHEMBL5415919

SCHEMBL5415919

CC(C)(C)c1ccc([I+](OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NR1I2 O75469 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HSD11B1 P28845 1/20 0.34
HSD17B3 P37058 1/20 0.34
EEF2K O00418 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
RAPGEF3 O95398 2/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
GAA P10253 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
SCHEMBL503481 0.88 ALDH1A1 (0.42) FFAR1FFAR4ALDH1A1NR1I2CA1
SCHEMBL5412303 0.88 CA1 (0.43) ALDH1A1NR1I2CA1CA2CYP3A4
SCHEMBL5401330 0.87 FFAR4 (0.39) FFAR1FFAR4ALDH1A1CA1CA2
SCHEMBL5412222 0.87 NPC1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5404774 0.84 MAPT (0.43) ALDH1A1CA1CA2GAAMAPT
SCHEMBL5408856 0.83 GAA (0.34) CA1CA2GAAHDAC8MAPT
SCHEMBL5398357 0.83 FFAR4 (0.38) FFAR4ALDH1A1CA2PSEN1PSEN2
SCHEMBL5412294 0.81 CA2 (0.38) FFAR4CA2HSD11B1PSEN1PSEN2
SCHEMBL1804287 0.80 KIF11 (0.44) CA1CA2CA9MAPTMEN1
SCHEMBL2961941 0.79 HSD11B1 (0.44) ALDH1A1NR1I2CA1CA2CA9

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 2 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