SCHEMBL8889089

SCHEMBL8889089

CCC(C)(C)OOC(CN1C(=O)C(C)=C(C)C1=O)OOC(C)(C)CC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL8887402 0.92
SCHEMBL8889971 0.87
SCHEMBL8887268 0.84 ALDH1A1 (0.32) ALDH1A1PKM
SCHEMBL8888646 0.84 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL8887809 0.80 FOS (0.30)
SCHEMBL8887166 0.80 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL8889254 0.80
SCHEMBL8888392 0.80 MGLL (0.39) ALDH1A1PKM
SCHEMBL8886853 0.77 ALDH1A1 (0.30) ALDH1A1PKM
SCHEMBL8887154 0.75 BLM (0.35) ALDH1A1PKM

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-1997003961-A1 IMIDO PEROXIDES AS INITIATORS OF POLYMERIZATION PROCESSES AKZO NOBEL N.V. (NL) 1997-02-06 WO disclosed