SCHEMBL9065797

SCHEMBL9065797

Cc1ccc(S(=O)O)c([C@@H]2C[C@@H](C)CCC2C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
TRPM8 Q7Z2W7 4/20 0.36
TRPA1 O75762 2/20 0.36
KCNA5 P22460 1/20 0.35
TRPV1 Q8NER1 5/20 0.35
EPHX1 P07099 1/20 0.35
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP19A1 P11511 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
SCHEMBL1898020 1.00 OPRM1 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL2529125 1.00 OPRM1 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL3964870 1.00 OPRM1 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL11827649 0.79 TRPM8 (0.39) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL1898019 0.78 OPRM1 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL657905 0.78 OPRM1 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL1898021 0.78 OPRM1 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4466627 0.78 OPRM1 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4466623 0.75 KCNA5 (0.38) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL8498806 0.70 TRPA1 (0.43) OPRM1TRPM8TRPA1KCNA5TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579476-B1 Cyanoacrylate adhesives with improved cured thermal properties LOCTITE CORP (US) 1996-01-24 EP disclosed
EP-0579476-A1 Cyanoacrylate adhesives with improved cured thermal properties LOCTITE CORPORATION (US) 1994-01-19 EP disclosed