SCHEMBL9624899

SCHEMBL9624899

CC/C=C(\CCC)C(=O)OCCOC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRKCA P17252 1/20 0.30
DGKA P23743 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
SCHEMBL9624397 0.87 BTN3A1 (0.35) PRKCA
SCHEMBL9625714 0.87 BTN3A1 (0.35) PRKCA
SCHEMBL22588817 0.83 HCAR2 (0.38) GAADGKA
SCHEMBL28489021 0.83 HCAR2 (0.38) GAADGKA
SCHEMBL9625073 0.81 ALDH1A1 (0.44) GAADGKA
SCHEMBL9624857 0.81 TSHR (0.33) DGKA
SCHEMBL181698 0.81 DGKA (0.44) NPSR1DGKA
SCHEMBL8843130 0.81 ALDH1A1 (0.44) GAADGKA
SCHEMBL21056424 0.80 THRB (0.49) DGKA
SCHEMBL3425071 0.80 THRB (0.37) DGKA

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
EP-0250997-B1 VALPROIC AND (E)-2-VALPROENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM CHIESI FARMACEUTICI S.p.A. (IT) 1992-04-15 EP claimed