SCHEMBL5414992

SCHEMBL5414992

CCCc1ccc([I+]c2ccc(CCC)cc2)cc1.O=S(=O)([O-])c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 2/20 0.39
CA2 P00918 1/20 0.38
SLC22A12 Q96S37 7/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL5422186 0.90 FFAR4 (0.41) HSD11B1ALDH1A1SLC22A12MEN1KMT2A
SCHEMBL5411395 0.83 KAT6A (0.41) ALDH1A1CA2MEN1KMT2ACNR2
Toliodium SCHEMBL2901082 0.82 SLC22A12 (0.47) HSD11B1ALDH1A1SLC22A12MEN1KMT2A
SCHEMBL5405451 0.82 HSD11B1 (0.43) HSD11B1ALDH1A1SLC22A12MEN1KMT2A
SCHEMBL455243 0.82 MEN1 (0.46) HSD11B1ALDH1A1SLC22A12MEN1KMT2A
SCHEMBL31210331 0.81 HSD11B1 (0.47) HSD11B1ALDH1A1CA2SLC22A12MEN1
SCHEMBL453146 0.81 HSD11B1 (0.47) HSD11B1ALDH1A1CA2SLC22A12MEN1
SCHEMBL2898439 0.81 HSD11B1 (0.46) HSD11B1ALDH1A1SLC22A12MEN1KMT2A
SCHEMBL4419124 0.80 KDM1A (0.44) HSD11B1SLC22A12MEN1KMT2ACYP2C9
SCHEMBL5416321 0.79 HSD11B1 (0.39) HSD11B1ALDH1A1SLC22A12MEN1KMT2A

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