SCHEMBL8889200

SCHEMBL8889200

CCC(C)(C)OOC(C)(C)CCN1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8888387 0.90 ALDH1A1 (0.37) ALDH1A1PKM
SCHEMBL8887889 0.89 ALDH1A1 (0.39) ALDH1A1PKM
SCHEMBL8886927 0.85 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL8888336 0.83 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL8888155 0.82 ALDH1A1 (0.32) ALDH1A1PKM
SCHEMBL8887154 0.81 BLM (0.35) ALDH1A1PKM
SCHEMBL8887976 0.81 ALDH1A1 (0.36) ALDH1A1PKM
SCHEMBL8888495 0.81 ALDH1A1 (0.31) ALDH1A1PKM
SCHEMBL8888513 0.80 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL8890517 0.79

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