SCHEMBL5403450

SCHEMBL5403450

CCCc1ccc([I+](OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccc(CCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
RORC P51449 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PSMB5 P28074 1/20 0.37
ENPP1 P22413 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF11 P52732 1/20 0.35
CA1 P00915 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL5408493 0.89 BCHE (0.41) CA2BCHEACHERORCKMT2A
SCHEMBL5412294 0.88 CA2 (0.38) CA2KMT2ACYP19A1PSMB5L3MBTL1
SCHEMBL1804287 0.86 KIF11 (0.44) CA2KMT2ACYP19A1ENPP1MEN1
SCHEMBL5400059 0.85 TRPV1 (0.43) CA2RORCKMT2AMEN1ALDH1A1
SCHEMBL5416274 0.85 CA2 (0.45) CA2KMT2ATAAR1ENPP1MEN1
SCHEMBL5412565 0.83 NPC1 (0.37) CA2BCHEACHEKMT2ACYP19A1
SCHEMBL2902863 0.82 ALDH1A1 (0.47) CA2BCHEACHEKMT2AMEN1
SCHEMBL548082 0.82 ALDH1A1 (0.47) CA2BCHEACHEKMT2AMEN1
SCHEMBL503481 0.82 ALDH1A1 (0.42) CA2KMT2AMEN1ALDH1A1LMNA
SCHEMBL2966475 0.81 CA2 (0.46) CA2BCHEACHEALDH1A1LMNA

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