SCHEMBL5401558

SCHEMBL5401558

CC(C)(C)c1ccc([I+](OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.41
HSD11B1 P28845 2/20 0.38
NR1I2 O75469 4/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 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
SCHEMBL5404679 0.86 NPC1 (0.36) HSD17B2ALPLALPICDK1CCNB1
SCHEMBL5408741 0.86 HSD17B2 (0.41) HSD17B2HSD11B1NR1I2ALDH1A1FLT1
SCHEMBL5400599 0.85 ALPL (0.38) CA1CA2CA9ALDH1A1ALPL
SCHEMBL5409969 0.82 TRPV4 (0.36) ALDH1A1ALPLALPIL3MBTL1
SCHEMBL5400412 0.81 PGR (0.42) CA1CA2CA9ALDH1A1ALPL
SCHEMBL5414726 0.81 TP53 (0.35) CA1CA2ALDH1A1ALPLALPI
SCHEMBL5412226 0.79 CA2 (0.36) CA1CA2CA9ALDH1A1ALPL
SCHEMBL503804 0.74 GAA (0.39) HSD11B1NR1I2CA1CA2CA9
SCHEMBL1718943 0.74 CA1 (0.43) HSD11B1CA1CA2CA9ALDH1A1
SCHEMBL452775 0.74 HSD11B1 (0.47) HSD17B2HSD11B1CA1CA2CA9

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