SCHEMBL29532276

SCHEMBL29532276

CC1CCC(C(C)C)C(C(CC(=O)N(C)C)C(=O)O)C1.CC1CCC(C(C)C)C(C(CC(N)=O)C(=O)N(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
TRPM8 Q7Z2W7 3/20 0.36
TRPA1 O75762 2/20 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
SCHEMBL584284 0.91 EPHX1 (0.48) EPHX1TRPM8TRPA1
SCHEMBL1159626 0.89 EPHX1 (0.42) EPHX1TRPM8TRPA1
SCHEMBL21611750 0.77 EPHX1 (0.53) EPHX1TRPM8TRPA1
SCHEMBL31482963 0.76 CYP19A1 (0.43) EPHX1
SCHEMBL584085 0.76 EPHX1 (0.46) EPHX1TRPM8TRPA1
SCHEMBL19209892 0.72 EPHX1 (0.47) EPHX1TRPM8TRPA1
SCHEMBL4312363 0.72 EPHX1 (0.47) EPHX1TRPM8TRPA1
Menthol SCHEMBL8043665 0.70 TRPM8 (0.58) EPHX1TRPM8TRPA1
SCHEMBL120127 0.69 EPHX1 (0.45) EPHX1TRPM8TRPA1
SCHEMBL18280698 0.69 EPHX1 (0.45) EPHX1TRPM8TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3996505-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP claimed
EP-3996506-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP claimed
EP-3996505-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP disclosed
EP-3996506-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP disclosed