SCHEMBL5413752

SCHEMBL5413752

CCCc1ccc([I+](OS(=O)(=O)c2cccc(F)c2)c2ccc(CCC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR6 P50406 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
F2 P00734 1/20 0.33
METAP2 P50579 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.33
PAX8 Q06710 2/20 0.32
MAPT P10636 1/20 0.32
HCRTR2 O43614 1/20 0.32
KAT6A Q92794 1/20 0.32
PGR P06401 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
SCHEMBL5403685 0.90 KMT2A (0.38) CA2KMT2APOLBALDH1A1HTR6
SCHEMBL5400059 0.84 TRPV1 (0.43) CA2KMT2APOLBALDH1A1HTR6
SCHEMBL5416274 0.84 CA2 (0.45) CA2KMT2AHTR2AHTR2CFFAR4
SCHEMBL5401602 0.82 HCRTR2 (0.40) CA2KMT2AHTR2AHTR2CALDH1A1
SCHEMBL5422210 0.81 KMT2A (0.46) CA2KMT2APOLBALDH1A1F2
SCHEMBL5419138 0.81 PGR (0.43) CA2KMT2AHTR2CHTR6MEN1
SCHEMBL5410042 0.80 NPC1 (0.35) KMT2APOLBALDH1A1HTR6MAPT
SCHEMBL5403591 0.80 HTR2A (0.35) CA2HTR2AHTR2CFFAR4ALDH1A1
SCHEMBL5412396 0.79 PTGER2 (0.37) CA2ALDH1A1HTR6PGR
SCHEMBL5409946 0.79 ALDH1A1 (0.40) KMT2AHTR2AHTR2CALDH1A1HTR6

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