SCHEMBL18950758

SCHEMBL18950758

COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OC(=O)OC(C)(C)C)c(OPCl)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ELANE P08246 1/20 0.34
VCAM1 P19320 4/20 0.32
TNFRSF1A P19438 1/20 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
SCHEMBL17267258 0.84 CA1 (0.51) CA1CA2ELANEVCAM1
SCHEMBL17267257 0.83 CA1 (0.41) CA1CA2ELANEVCAM1TNFRSF1A
SCHEMBL17171700 0.83 CA1 (0.50) CA1CA2ELANEVCAM1TNFRSF1A
SCHEMBL18950756 0.82 CA1 (0.37) CA1CA2ELANEVCAM1TNFRSF1A
SCHEMBL19773742 0.78 CA1 (0.35) CA1CA2ELANEVCAM1
SCHEMBL17546543 0.77 ELANE (0.50) CA1CA2ELANEVCAM1
SCHEMBL18682925 0.76 TNFRSF1A (0.34) CA1CA2ELANEVCAM1TNFRSF1A
SCHEMBL19954350 0.75 CA1 (0.44) CA1CA2ELANEVCAM1TNFRSF1A
SCHEMBL17277977 0.75 CA1 (0.33) CA1CA2ELANE
SCHEMBL12266786 0.73 ALDH1A1 (0.40) CA2ELANEVCAM1

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-3178828-A1 HETEROCYCLIC SELENA PHOSPHITES AND METHOD FOR THE PRODUCTION THEREOF Evonik Degussa GmbH (DE) 2017-06-14 EP disclosed