SCHEMBL5405455

SCHEMBL5405455

CCC(C)(C)c1ccc([I+](OS(=O)(=O)c2ccccc2C(F)(F)F)c2ccc(C(C)(C)CC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 1/20 0.35
SLC22A12 Q96S37 8/20 0.34
ALDH1A1 P00352 1/20 0.34
F2 P00734 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL453147 0.87 HSD11B1 (0.43) HSD11B1MEN1KMT2ASLC22A12CYP3A4
SCHEMBL2898442 0.87 MEN1 (0.42) HSD11B1MEN1KMT2ASLC22A12ALDH1A1
SCHEMBL5416235 0.85 NPC1 (0.38) HSD11B1MEN1KMT2ANPC1RAB9A
SCHEMBL5422190 0.85 MEN1 (0.38) HSD11B1MEN1KMT2AMAPTSLC22A12
SCHEMBL2901085 0.83 MEN1 (0.41) HSD11B1MEN1KMT2ALMNAMAPT
SCHEMBL5414995 0.82 HSD11B1 (0.38) HSD11B1MEN1KMT2ASLC22A12ALDH1A1
SCHEMBL455244 0.82 MEN1 (0.45) HSD11B1MEN1KMT2ARAB9ASLC22A12
SCHEMBL5412565 0.81 NPC1 (0.37) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL4419127 0.80 KDM1A (0.41) HSD11B1MEN1KMT2ASLC22A12
SCHEMBL5416323 0.80 MEN1 (0.38) HSD11B1MEN1KMT2ASLC22A12ALDH1A1

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