SCHEMBL7986723

SCHEMBL7986723

C=CCCCCN(C)C(=O)[C@@H](NC(=O)[C@H](CCCC=C)[C@H](O)C(=O)O)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL7987208 0.81 PDF (0.43)
SCHEMBL7995047 0.81 PDF (0.43)
SCHEMBL7990041 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7977102 0.77 PDF (0.44)
SCHEMBL7976169 0.77 PDF (0.44)
SCHEMBL7975796 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7986722 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1274009 0.69 SMN1; SMN2 (0.37) ALDH1A1
SCHEMBL7986467 0.67 DPP4 (0.46) ALDH1A1
SCHEMBL7986473 0.67 DPP4 (0.46) 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
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed