SCHEMBL25855715

SCHEMBL25855715

CC(C)(C)OC(=O)C(C)(C)OCCC(C)(C)OCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL19392017 0.82 CYP2D6 (0.31)
SCHEMBL12768993 0.82 SMN1; SMN2 (0.32)
SCHEMBL23431356 0.79
SCHEMBL46780 0.77 DGAT1 (0.38) DGAT1CYP4F2CYP4A11
SCHEMBL18906646 0.75 ALDH1A1 (0.35)
SCHEMBL18490901 0.75 SMN1; SMN2 (0.30)
SCHEMBL10301446 0.75 HMGCR (0.37)
SCHEMBL24813555 0.74 ALDH1A1 (0.38)
SCHEMBL21935444 0.72 APLNR (0.31)
SCHEMBL21229445 0.71

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
EP-3609889-B1 SMALL MOLECULES UNIV DUNDEE (GB) 2023-07-05 EP disclosed