SCHEMBL20428537

SCHEMBL20428537

CC(C)(C)CC(=O)C(C)(C)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL8197662 0.79 ACLY (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL13829316 0.78 TSHR (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL18125738 0.77
SCHEMBL4202415 0.74
SCHEMBL5695775 0.74
SCHEMBL553054 0.73 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL10362142 0.72
SCHEMBL1691041 0.72
SCHEMBL25007292 0.69 FAAH (0.42)
Potassium Ion SCHEMBL7352758 0.69

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-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed