SCHEMBL6674040

SCHEMBL6674040

CC(C)CCN(CCC(C)C)C(O)=S.NC(O)=S

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7594138 0.87 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL2923512 0.81 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL8935586 0.79 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL3773495 0.79 CA12 (0.50) CA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL28593728 0.79 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL8603417 0.76 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL6487871 0.74 CA12 (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL8935527 0.74 CA1 (0.35) CA12CA1CA2CA9ALDH1A1
Zinc Ion SCHEMBL10604812 0.74 CA1 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL442022 0.73 CA12 (0.52) CA12CA1CA2CA9ALDH1A1

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-1265977-B1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINTS SHELL INT RESEARCH (NL) 2004-10-13 EP claimed