SCHEMBL4643406

SCHEMBL4643406

CC(C)(C)CC(=O)C(=O)CCl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 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
SCHEMBL14914212 0.85 HMGCR (0.40) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL4644054 0.79 CES2 (0.33) L3MBTL1
SCHEMBL4643992 0.75 CES1 (0.39)
SCHEMBL298779 0.74
SCHEMBL11591671 0.74 HMGCR (0.33) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL4647346 0.74 OR51E2 (0.38) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL9555113 0.74
SCHEMBL4644498 0.74 CES2 (0.41)
SCHEMBL13995531 0.72 TRPA1 (0.38) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL3697055 0.71 HMGCR (0.41) TSHRHMGCRCHRM1TBXA2RADRA1A

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed