SCHEMBL8425136

SCHEMBL8425136

CCC(=O)OSOC(=O)C(C)CCCO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.31
NAAA Q02083 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
SCHEMBL9382913 0.85 CA1 (0.44) CA1NAAA
SCHEMBL8470461 0.80 NAAA (0.31) NAAA
SCHEMBL11720139 0.78 NAAA (0.34) NAAA
SCHEMBL625367 0.73 ALDH1A1 (0.41) NAAA
SCHEMBL4922700 0.72 CYP4F2 (0.40) CA1
SCHEMBL20593347 0.71 ALDH1A1 (0.39) NAAA
SCHEMBL22490553 0.71 ALDH1A1 (0.39) NAAA
SCHEMBL20593400 0.71 ALDH1A1 (0.39) NAAA
SCHEMBL10010765 0.71 CA1 (0.34) CA1NAAA
SCHEMBL27279809 0.70 CA1 (0.41) CA1

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
US-5959147-A FORMING (HYDROXYALKYLTHIO)ALKANAMIDE FROM MERCAPTOALKANOL AND UNSATURATED AMIDE NIPPON SHOKUBAI CO., LTD. (JP) 1999-09-28 US disclosed