SCHEMBL29112277

SCHEMBL29112277

CC1CCC(C(C)C)[C@@](O)(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.33
CYP1A2 P05177 1/20 0.33
EPHX1 P07099 1/20 0.33
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL29682105 1.00 HSD11B1 (0.33) HSD11B1CYP1A2EPHX1TRPV1
SCHEMBL7978200 1.00 HSD11B1 (0.33) HSD11B1CYP1A2EPHX1TRPV1
SCHEMBL30626433 0.84 EPHX1 (0.39) HSD11B1EPHX1TRPV1
SCHEMBL305653 0.84 EPHX1 (0.39) HSD11B1EPHX1TRPV1
SCHEMBL29112414 0.84 EPHX1 (0.39) HSD11B1EPHX1TRPV1
Lactic Acid SCHEMBL306590 0.80 EPHX1 (0.34) EPHX1
SCHEMBL11232712 0.80 HSD11B1 (0.32) HSD11B1
SCHEMBL11665887 0.79 HSD11B1 (0.34) HSD11B1CYP1A2EPHX1TRPV1
SCHEMBL29681945 0.78 ALDH1A1 (0.33) CYP1A2
SCHEMBL31253748 0.77 EPHX1 (0.31) EPHX1

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
CN-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed