SCHEMBL8946351

SCHEMBL8946351

C=CC(CC)(OCC)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL11296279 0.79
SCHEMBL21847341 0.71 GAA (0.37) GAAALDH1A1LMNAHSD17B10
SCHEMBL15841435 0.71 GAA (0.38) GAAALDH1A1
SCHEMBL27518350 0.69 GAA (0.40) GAAALDH1A1LMNAHSD17B10
SCHEMBL10083043 0.69 GAA (0.36) GAA
SCHEMBL10441557 0.69 ALDH1A1 (0.40) GAAALDH1A1LMNAHSD17B10
SCHEMBL21629403 0.68 THRB (0.38) ALDH1A1HSD17B10
SCHEMBL3156613 0.68 GAA (0.35) GAAALDH1A1LMNAHSD17B10
SCHEMBL783715 0.68 ALDH1A1 (0.43) GAAALDH1A1LMNAHSD17B10
SCHEMBL7171783 0.67 ALDH1A1 (0.30) ALDH1A1LMNAHSD17B10

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
US-5493027-A ANTIEPILEPTIC AGENTS, NEUROGENATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-02-20 US disclosed
WO-1994017042-A1 ANTICONVULSIVE AGENTS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-08-04 WO disclosed