SCHEMBL5400599

SCHEMBL5400599

Cc1ccc([I+](OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 1/20 0.32
CTPS1 P17812 1/20 0.32
COMT P21964 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
CCNA1 P78396 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
SCHEMBL5412177 0.85 TP53 (0.40) ALPLALPIL3MBTL1CDK1CCNB1
SCHEMBL5409969 0.85 TRPV4 (0.36) ALPLALPIL3MBTL1PGRCTPS1
SCHEMBL5401558 0.85 HSD17B2 (0.41) ALPLALPICA1CA2CA9
SCHEMBL5400412 0.84 PGR (0.42) ALPLALPICA12CA1CA2
SCHEMBL5414726 0.84 TP53 (0.35) ALPLALPICA12CA1CA2
SCHEMBL5412226 0.81 CA2 (0.36) ALPLALPICA12CA1CA2
SCHEMBL5404679 0.80 NPC1 (0.36) ALPLALPIL3MBTL1POLBCDK1
SCHEMBL2895874 0.74 GAA (0.46) CA12CA1CA2CA9L3MBTL1
SCHEMBL2900955 0.74 BCHE (0.43) ALDH1A1GAA
SCHEMBL5403488 0.73 HTT (0.38) SMN1; SMN2ALDH1A1

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