SCHEMBL5409946

SCHEMBL5409946

CC(C)c1ccc([I+](OS(=O)(=O)c2cccc(F)c2)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PGR P06401 2/20 0.37
MAP2K4 P45985 1/20 0.36
GBA1 P04062 1/20 0.35
HTR6 P50406 2/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
HTR2A P28223 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
CNR2 P34972 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32

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
SCHEMBL5401602 0.85 HCRTR2 (0.40) ALDH1A1PGRHTR6HTR2AKMT2A
SCHEMBL5398484 0.83 NPSR1 (0.42) ALDH1A1PGRCNR2
SCHEMBL5408480 0.83 LMNA (0.41) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL5419138 0.83 PGR (0.43) GAAPGRGBA1HTR6KMT2A
SCHEMBL5412396 0.81 PTGER2 (0.37) ALDH1A1PGRHTR6
SCHEMBL5403685 0.81 KMT2A (0.38) ALDH1A1PGRGBA1HTR6KMT2A
SCHEMBL5405403 0.80 KMT2A (0.48) ALDH1A1GAAKMT2AMEN1
SCHEMBL5413752 0.79 CA2 (0.38) ALDH1A1PGRHTR6HTR2AKMT2A
SCHEMBL5403656 0.78 MAPT (0.37) ALDH1A1KCNH2
SCHEMBL5410042 0.77 NPC1 (0.35) ALDH1A1PGRGBA1HTR6KMT2A

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