SCHEMBL24540352

SCHEMBL24540352

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCC(=O)c1ccc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.46
TRPV1 Q8NER1 5/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.41
HSP90AB1 P08238 1/20 0.40
P2RX4 Q99571 1/20 0.38
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 1/20 0.36
SHBG P04278 1/20 0.36
ESR2 Q92731 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL24540605 0.87 TRPM8 (0.47) TRPM8TRPV1KDM4EALDH1A1HPGD
SCHEMBL24540647 0.85 TRPM8 (0.46) TRPM8TRPV1ALDH1A1HPGDEPHX1
SCHEMBL24540789 0.83 TRPM8 (0.46) TRPM8TRPV1KDM4EALDH1A1MAPT
SCHEMBL24540645 0.81 TRPM8 (0.47) TRPM8TRPV1KDM4EGAAEPHX1
SCHEMBL24540846 0.79 TRPM8 (0.58) TRPM8TRPV1MAPTHTTMEN1
SCHEMBL24540501 0.79 TRPM8 (0.47) TRPM8TRPV1ALDH1A1HPGDEPHX1
SCHEMBL2628610 0.78 TRPM8 (0.50) TRPM8TRPV1ALDH1A1GAAEPHX1
SCHEMBL19058455 0.78 TRPM8 (0.50) TRPM8TRPV1ALDH1A1GAAEPHX1
SCHEMBL24540511 0.78 TRPM8 (0.50) TRPM8TRPV1ALDH1A1GAAEPHX1
SCHEMBL891394 0.78 TRPM8 (0.50) TRPM8TRPV1ALDH1A1GAAEPHX1

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