SCHEMBL4647346

SCHEMBL4647346

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.38
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL14914212 0.87 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL4641457 0.78 CES2 (0.35) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL13995531 0.74 TRPA1 (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL4643406 0.74 TSHR (0.33) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL4645363 0.74 CES1 (0.40)
SCHEMBL3697055 0.73 HMGCR (0.41) OR51E2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2063233 0.73
SCHEMBL2530657 0.73
SCHEMBL6857048 0.73 CES1 (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL4645784 0.72 CES1 (0.42)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed