SCHEMBL11203296

SCHEMBL11203296

CC(C)(CO)C(=O)OC(=O)C(C)(C)CO.O=C1CCCCCO1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
FKBP1A P62942 1/20 0.32
ATM Q13315 2/20 0.32
PGR P06401 2/20 0.32

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
SCHEMBL28372803 1.00 CA1 (0.48) CA1CA9FKBP1AATMPGR
SCHEMBL1756528 0.85 CA1 (0.42) CA1CA9
SCHEMBL28189755 0.81 CA1 (0.47) CA1CA9FKBP1A
SCHEMBL2382474 0.80 CA1 (0.59) CA1CA9FKBP1AATMPGR
SCHEMBL29229510 0.80 CA1 (0.59) CA1CA9FKBP1AATMPGR
SCHEMBL28240854 0.80 CA1 (0.59) CA1CA9FKBP1AATMPGR
SCHEMBL29208004 0.78 CA1 (0.44) CA1CA9ATMPGR
Propionic Acid SCHEMBL28374077 0.77 CA1 (0.64) CA1CA9FKBP1AATMPGR
SCHEMBL28884795 0.77 CA1 (0.64) CA1CA9
SCHEMBL15666215 0.77 CA1 (0.64) CA1CA9

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-0087580-A2 Di(meth)acrylate esters and process for producing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-09-07 EP disclosed