SCHEMBL8679666

SCHEMBL8679666

CN(C)C(CC(C)(C)C)=C(I)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL622393 0.77 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL622396 0.77 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL5965051 0.67
SCHEMBL5693456 0.67
SCHEMBL680882 0.64 ALDH1A1 (0.40) HMGCRCHRM1TBXA2RADRA1A
Benzene SCHEMBL1002002 0.64 CCR5 (0.37) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL9246547 0.64 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6113103 0.63
SCHEMBL5174067 0.62 ALDH1A1 (0.39) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL622824 0.61 LMNA (0.32)

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
WO-1998008882-A1 AQUEOUS TWO-STAGE EMULSION POLYMERS, BLENDS AND COATINGS THEREOF AND METHOD OF MAKING THE SAME S.C. JOHNSON COMMERCIAL MARKETS, INC. (US) 1998-03-05 WO disclosed