SCHEMBL24587256

SCHEMBL24587256

C=CCCN(CC(=O)OOC(=O)CN(CCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL14639322 0.84 HDAC6 (0.35) CA14CA12CA1HDAC6
SCHEMBL15645124 0.82 CA14 (0.44) CA14CA12CA1CA7HDAC6
SCHEMBL24447239 0.81 CA14 (0.35) CA14HDAC6
SCHEMBL20055158 0.81 CA14 (0.36) CA14HDAC6
SCHEMBL21425191 0.81 CA14 (0.38) CA14CA12CA1CA7HDAC6
SCHEMBL16893294 0.80 CA14 (0.35) CA14HDAC6
SCHEMBL15694959 0.77 CA14 (0.38) CA14HDAC6
SCHEMBL18798854 0.77 CA14 (0.41) CA14CA12CA1CA7HDAC6
SCHEMBL23765759 0.76 CA12 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL18387953 0.76 CA14 (0.33) CA14HDAC6

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
WO-2022140458-A1 PENETRATING CRYOPROTECTION AGENTS AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-06-30 WO disclosed