SCHEMBL11564367

SCHEMBL11564367

O=C1C=CC(=O)OCCCCCCCCCCO1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 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
SCHEMBL6343379 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL4347545 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL28400551 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL4347547 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL3294626 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL6343377 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL29594997 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL30580551 1.00 CA1 (0.50) CA1CA9ALDH1A1LMNATP53
SCHEMBL7784650 0.97 CA1 (0.52) CA1CA9ALDH1A1LMNATP53
SCHEMBL8731692 0.97 CA1 (0.52) CA1CA9ALDH1A1LMNATP53

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-4148768-A OLEFIN THERMOPLASTIC RESIN IN WATER, LITHIUM SOAP DISPERSANT NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1979-04-10 US disclosed