SCHEMBL10895883

SCHEMBL10895883

CC1CCC(C(C)C)C(NC(=O)c2ccccc2SC#N)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.57
▸ TRPV1 Q8NER1 9/20 0.54
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL10894940 0.80 HSD17B10 (0.42) TRPM8HSD17B10ALDH1A1HPGD
SCHEMBL10898177 0.79 GAA (0.56) ALDH1A1HPGD
SCHEMBL10897863 0.77 HPGD (0.54) HSD17B10ALDH1A1HPGD
SCHEMBL4088459 0.77 TRPM8 (0.85) TRPM8TRPV1
SCHEMBL4081078 0.77 TRPM8 (0.85) TRPM8TRPV1
SCHEMBL4083810 0.77 TRPM8 (0.85) TRPM8TRPV1
SCHEMBL10897155 0.77 TAS1R3 (0.56) HSD17B10ALDH1A1HPGD
SCHEMBL10899131 0.77 HPGD (0.43) HSD17B10ALDH1A1HPGD
SCHEMBL10898843 0.77 HPGD (0.49) HSD17B10ALDH1A1HPGD
SCHEMBL10898808 0.76 HPGD (0.52) HSD17B10ALDH1A1HPGD

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
US-4565829-A Fungicidal 2-thiocyanato-benzamides BAYER AKTIENGESELLSCHAFT (DE) 1986-01-21 — — US disclosed
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