SCHEMBL23933227

SCHEMBL23933227

NC/C=C/CNC(=O)O[C@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(=O)O)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.39
HSD11B1 P28845 7/20 0.35
HSD11B2 P80365 3/20 0.33
EPHX1 P07099 1/20 0.32
HPGD P15428 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
SCHEMBL23933226 1.00 DGAT1 (0.39) DGAT1HSD11B1HSD11B2EPHX1HPGD
SCHEMBL23933228 1.00 DGAT1 (0.39) DGAT1HSD11B1HSD11B2EPHX1HPGD
SCHEMBL23992105 0.85 THRB (0.36) EPHX1
SCHEMBL23992101 0.85 HSD11B1 (0.38) HSD11B1HSD11B2EPHX1
SCHEMBL23992210 0.84 SCN9A (0.32) EPHX1
SCHEMBL23992080 0.82 SCN9A (0.34) HSD11B1
SCHEMBL23992079 0.82 EPHX1 (0.44) HSD11B1EPHX1
SCHEMBL23992082 0.79 MEN1 (0.34) HSD11B1
Hydrochloric Acid SCHEMBL23933225 0.78 ALDH1A1 (0.33) HSD11B1
SCHEMBL23992016 0.74

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-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed