SCHEMBL6856475

SCHEMBL6856475

CC(C)CC(CC=O)C[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.44

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
SCHEMBL7949800 1.00 CPA1 (0.44) CPA1
SCHEMBL14986036 1.00 CPA1 (0.44) CPA1
SCHEMBL8347466 0.78 ALOX15 (0.40) CPA1
SCHEMBL14424538 0.78 CACNA2D1 (0.34)
SCHEMBL13007945 0.77 CPA1 (0.48) CPA1
SCHEMBL13007954 0.77 CPA1 (0.48) CPA1
SCHEMBL17298067 0.76 CPA1 (0.41) CPA1
SCHEMBL17345617 0.75 CPA1 (0.47) CPA1
SCHEMBL29949252 0.74
SCHEMBL4454910 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3599246-A1 MEANS AND METHODS FOR SYNTHESIZING PRECURSORS OF Y-AMINOBUTYRIC ACID (GABA) ANALOGS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-29 EP disclosed
WO-2011016052-A2 PROCESS FOR PREPARING PREGABALIN HELVETICA INDUSTRIES (P) LIMITED (IN) 2011-02-10 WO disclosed