SCHEMBL9247017

SCHEMBL9247017

O=C1OCCCCCCOC(=O)C12CCCCC2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1080541 1.00 CA1 (0.39) CA1CA9ALDH1A1MAPK1HSD17B10
SCHEMBL8590344 1.00 CA1 (0.39) CA1CA9ALDH1A1MAPK1HSD17B10
SCHEMBL28737091 0.95 ALDH1A1 (0.36) CA1CA9ALDH1A1MAPK1HSD17B10
SCHEMBL11466183 0.92 ALDH1A1 (0.37) ALDH1A1MAPK1HSD17B10
SCHEMBL29203877 0.82 ALDH1A1 (0.37) ALDH1A1MAPK1HSD17B10
SCHEMBL8977432 0.78 LMNA (0.36) ALDH1A1
SCHEMBL4950591 0.78 CA1 (0.37) CA1CA9
SCHEMBL11582583 0.78 CA1 (0.37) CA1CA9
SCHEMBL14343521 0.78 CA1 (0.37) CA1CA9
SCHEMBL7112607 0.77 CA1 (0.40) CA1CA9ALDH1A1

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-5420212-A Polyester/polycarbonate/polycaprolactone blends EASTMAN CHEMICAL COMPANY (US) 1995-05-30 US disclosed