SCHEMBL9795442

SCHEMBL9795442

CC(C)(CO[N+](=O)[O-])C(=O)ON1CCN(C(N)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9795535 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9795445 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9346132 0.73 SSTR4 (0.43) ALDH1A1
SCHEMBL9795304 0.71 CA12 (0.31)
SCHEMBL2010219 0.70 ALDH1A1 (0.48) ALDH1A1
SCHEMBL2014486 0.70 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2015296 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL5151405 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2015730 0.65 ALDH1A1 (0.50) ALDH1A1
SCHEMBL5154021 0.65 THRB (0.33) ALDH1A1

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
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed