SCHEMBL24540459

SCHEMBL24540459

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCC(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.49
TRPV1 Q8NER1 8/20 0.43
EPHX1 P07099 1/20 0.42
P2RX4 Q99571 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL24540260 0.85 TRPM8 (0.53) TRPM8TRPV1EPHX1P2RX4
SCHEMBL12805446 0.81 TRPM8 (0.58) TRPM8TRPV1EPHX1
SCHEMBL10073499 0.81 TRPM8 (0.58) TRPM8TRPV1EPHX1
SCHEMBL15857921 0.81 TRPM8 (0.58) TRPM8TRPV1EPHX1
SCHEMBL1603431 0.78 TRPM8 (0.55) TRPM8TRPV1EPHX1ALDH1A1
SCHEMBL24540799 0.78 TRPM8 (0.55) TRPM8TRPV1EPHX1ALDH1A1
SCHEMBL15054395 0.78 TRPM8 (0.55) TRPM8TRPV1EPHX1ALDH1A1
SCHEMBL12805171 0.78 TRPM8 (0.58) TRPM8TRPV1EPHX1P2RX4ALDH1A1
SCHEMBL11419516 0.78 TRPM8 (0.58) TRPM8TRPV1EPHX1P2RX4ALDH1A1
SCHEMBL14580775 0.77 TRPM8 (0.68) TRPM8EPHX1GAAMAPT

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
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed