SCHEMBL21574152

SCHEMBL21574152

CCOCCC(C)(CC)NC(=O)CC(C)CC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL21574183 0.87 CA1 (0.31) CA1CA2CA7CA14
SCHEMBL21574173 0.85 CA1 (0.31) CA1CA2CA7CA14
SCHEMBL21574186 0.83 ALDH1A1 (0.37) CA1CA2CA7CA14
SCHEMBL20104677 0.78 ALDH1A1 (0.32)
SCHEMBL21574220 0.76 CA1 (0.34) CA1CA2CA7CA14
SCHEMBL24393522 0.71 MAPT (0.42) CA1CA2CA7CA14
SCHEMBL18595307 0.71 MAPT (0.42) CA1CA2CA7CA14
SCHEMBL19151136 0.70
SCHEMBL21017438 0.69 ALDH1A1 (0.39) CA2
SCHEMBL20827869 0.69 KDM4C (0.44) CA1CA2CA7CA14

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-3099691-B1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS PROMEGA CORP (US) 2019-11-20 EP disclosed