SCHEMBL22187014

SCHEMBL22187014

CCN(CCS(C)(C)C)C(=O)/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 10/20 0.78
▸ CYP3A4 P08684 1/20 0.67
▸ GABRA1 P14867 3/20 0.60
▸ GABRB2 P47870 3/20 0.60
▸ GABRG2 P18507 2/20 0.60
▸ GABRB3 P28472 2/20 0.60
▸ GABRA3 P34903 2/20 0.60
▸ GABRA2 P47869 2/20 0.60
▸ HPGD P15428 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53

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
SCHEMBL31490310 0.92 TRPM8 (0.76) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL28408661 0.88 TRPM8 (1.00) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL10270783 0.88 TRPM8 (1.00) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL29907816 0.84 TRPM8 (0.78) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL20777301 0.84 TRPM8 (0.78) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL29779969 0.84 TRPM8 (0.78) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL22074392 0.82 TRPM8 (0.74) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL20773111 0.82 TRPM8 (0.74) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL29779972 0.82 TRPM8 (0.74) TRPM8CYP3A4GABRA1GABRB2GABRG2
SCHEMBL19721140 0.81 GABRA1 (0.84) TRPM8CYP3A4GABRA1GABRB2GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675809-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-07-08 — — EP claimed
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