SCHEMBL9624397

SCHEMBL9624397

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 5/20 0.35
PRKCA P17252 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
SCHEMBL9625714 1.00 BTN3A1 (0.35) BTN3A1PRKCA
SCHEMBL9624899 0.87 POLB (0.36) PRKCA
SCHEMBL9625355 0.81 ALDH1A1 (0.35)
SCHEMBL9494567 0.77 NPSR1 (0.41)
SCHEMBL9494561 0.77 NPSR1 (0.41)
SCHEMBL10454777 0.77 NPSR1 (0.41)
SCHEMBL28489021 0.75 HCAR2 (0.38)
SCHEMBL22588817 0.75 HCAR2 (0.38)
SCHEMBL9624859 0.75 PRKCA (0.32) PRKCA
An-9 SCHEMBL356482 0.75 ALDH1A1 (0.46) BTN3A1PRKCA

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 4 patents. 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
US-5162573-A Anticonvulsant, antiepileptic agent CHIESI FARMACEUTICI S.P.A. (IT) 1992-11-10 US disclosed
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 disclosed
EP-0250997-A2 Valproic and (E)-2-valproenoic acid derivatives, processes for the preparation thereof and pharmaceutical compositions therefrom CHIESI FARMACEUTICI S.p.A. (IT) 1988-01-07 EP disclosed