SCHEMBL18535294

SCHEMBL18535294

CCC(C)(CC)C(CC(C)(C)C)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL14748200 0.85 CA1 (0.32) CA1CA2
SCHEMBL18535321 0.85 CA1 (0.32) CA1CA2
SCHEMBL6982588 0.83 CA1 (0.33) CA1CA2
SCHEMBL21992098 0.82 CA1 (0.40) CA1CA2
SCHEMBL17011638 0.80 CA2 (0.31) CA2
SCHEMBL10051729 0.79 CA1 (0.32) CA1CA2
SCHEMBL15759846 0.79 CA1 (0.31) CA1CA2
SCHEMBL18058745 0.75 MMP3 (0.33)
SCHEMBL15759828 0.74
SCHEMBL14560943 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019157620-A1 WATER-BASED POLYMER DISPERSIONS AND USES THEREOF WACKER CHEMIE AG (DE) 2019-08-22 WO disclosed
EP-2803683-B1 Functionalized elastomer and method of making such an elastomer GOODYEAR TIRE & RUBBER (US) 2017-02-22 EP disclosed