SCHEMBL5495639

SCHEMBL5495639

CC1CCC(C(C)C)C(C(Br)C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
TRPM8 Q7Z2W7 5/20 0.48
TRPA1 O75762 2/20 0.48
TRPV1 Q8NER1 5/20 0.41
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL23166657 1.00 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL29691539 1.00 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL23166658 1.00 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL1030886 0.81 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL9951257 0.81 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL3274993 0.81 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL9951715 0.81 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL851820 0.80 EPHX1 (0.51) EPHX1TRPM8TRPA1TRPV1KCNA5
Hydrochloric Acid SCHEMBL11492237 0.79 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL8743483 0.79 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567535-B1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 2007-01-17 EP disclosed
EP-1567535-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004050669-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
EP-0008888-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-09-21 EP disclosed
EP-0008888-A1 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-03-19 EP disclosed