SCHEMBL7797964

SCHEMBL7797964

CCCC=C(O)C(=O)OO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
EP300 Q09472 1/20 0.33
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
SCHEMBL19253779 0.84 GRIK1 (0.37) GRIK1GRIK2EP300ALDH1A1
SCHEMBL30575782 0.84 EP300 (0.55) EP300
SCHEMBL27568373 0.82 GRIK1 (0.36) GRIK1GRIK2EP300ALDH1A1
SCHEMBL5509271 0.81
SCHEMBL11375198 0.80 NPSR1 (0.42) GRIK1GRIK2ALDH1A1
SCHEMBL11420914 0.78 EP300 (0.48) GRIK1GRIK2EP300
SCHEMBL12080812 0.78 HCAR2 (0.44) GRIK1GRIK2EP300ALDH1A1
SCHEMBL1498184 0.77 CYP2D6 (0.35) GRIK1GRIK2ALDH1A1
SCHEMBL52705 0.77 CYP2D6 (0.35) GRIK1GRIK2ALDH1A1
Benzene SCHEMBL28209984 0.77 GRIK1 (0.33) GRIK1GRIK2EP300ALDH1A1

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-1161459-A1 INTERPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2001-12-12 EP disclosed
WO-2000047631-A1 INTERPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed