SCHEMBL5408741

SCHEMBL5408741

CC(C)(C)c1ccc([I+](OS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.41
FBP1 P09467 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MCL1 Q07820 3/20 0.39
HSD11B1 P28845 5/20 0.39
NR1I2 O75469 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5406935 0.87 MCL1 (0.36) FBP1MCL1HSD11B1ALDH1A1KDM4E
SCHEMBL5401558 0.86 HSD17B2 (0.41) HSD17B2FLT1FLT4KDRHSD11B1
SCHEMBL5412177 0.86 TP53 (0.40) FBP1MCL1MEN1KMT2AALDH1A1
SCHEMBL5401430 0.83 RAB9A (0.38) MCL1ALDH1A1KDM4ETSHRHPGD
SCHEMBL5400611 0.82 KDM4E (0.47) MCL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5403649 0.82 TP53 (0.41) MCL1ALDH1A1KDM4ETSHRHPGD
SCHEMBL5408470 0.80 GAA (0.40) MCL1ALDH1A1KDM4EL3MBTL1
SCHEMBL3753880 0.77 ENPP3 (0.44) HSD17B2FLT1FLT4KDRHSD11B1
SCHEMBL1718943 0.75 CA1 (0.43) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL503804 0.75 GAA (0.39) HSD11B1NR1I2MEN1KMT2AALDH1A1

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