SCHEMBL5398484

SCHEMBL5398484

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
RORC P51449 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL5408856 0.88 GAA (0.34) NPSR1CA1CA2LMNATP53
SCHEMBL5398412 0.86 FFAR1 (0.48) NPSR1CA1CA2MMP1MMP2
SCHEMBL5412303 0.85 CA1 (0.43) NPSR1CA1CA2MMP1MMP2
SCHEMBL5422187 0.84 CA1 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL5403740 0.84 CA1 (0.48) NPSR1CA1CA2MMP1MMP2
SCHEMBL5409946 0.83 ALDH1A1 (0.40) PGRCNR2ALDH1A1
SCHEMBL5398585 0.82 MAPT (0.43) NPSR1CA1CA2MMP1MMP2
SCHEMBL5411449 0.81 CYP3A4 (0.42) NPSR1CA1CA2MMP1MMP2
SCHEMBL5400059 0.81 TRPV1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL5404731 0.80 CA1 (0.43) NPSR1CA1CA2MMP1MMP2

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