SCHEMBL5408480

SCHEMBL5408480

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AKR1C3 P42330 1/20 0.37
GPR183 P32249 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT6A Q92794 1/20 0.34
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
TSHR P16473 1/20 0.33
PSEN1 P49768 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
SCHEMBL5422187 0.84 CA1 (0.40) LMNAMAPTALDH1A1GAAKDM4E
SCHEMBL5409946 0.83 ALDH1A1 (0.40) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL5400819 0.83 ACHE (0.43) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL5382705 0.83 ACHE (0.43) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL5403552 0.81 CYP19A1 (0.40) LMNASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL5403656 0.80 MAPT (0.37) LMNASMN1; SMN2MAPTALDH1A1PSEN1
SCHEMBL5408671 0.80 CA1 (0.31) LMNAMAPTALDH1A1GAAKDM4E
SCHEMBL5403499 0.79 KMT2A (0.46) ALDH1A1GAAMEN1KMT2APKM
SCHEMBL5413753 0.79 ALDH1A1 (0.43) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL2961941 0.79 HSD11B1 (0.44) LMNASMN1; SMN2GPR183MAPTALDH1A1

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