SCHEMBL28471237

SCHEMBL28471237

CC(C)C(CC(=O)O)(CC(C)(C)C)C(=O)OCC(C)(C)C

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
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 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
SCHEMBL17376828 0.86
SCHEMBL22421672 0.78 CYP2C19 (0.43) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28139340 0.77 HMGCR (0.35) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28705934 0.75 CYP2D6 (0.45) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL17376851 0.73
SCHEMBL6910771 0.72
SCHEMBL28725332 0.72 HMGCR (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28472893 0.71 CYP4F2 (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28140043 0.71 MMP8 (0.36) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL19138788 0.71 MMP8 (0.31)

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-111712541-A Polypropylene composition and molded article 巴塞尔聚烯烃意大利有限公司 2020-09-25 CN disclosed