SCHEMBL9861585

SCHEMBL9861585

C#CCC(CC#C)C(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3104177 0.73
SCHEMBL3104169 0.73
SCHEMBL19487337 0.73
SCHEMBL7141244 0.73 GRIK1 (0.48) GRIK1GRIK2ALDH1A1
SCHEMBL23043980 0.71 ALDH1A1 (0.40) GRIK1GRIK2ALDH1A1
SCHEMBL6724837 0.71
SCHEMBL805202 0.71
SCHEMBL6724835 0.71
SCHEMBL379205 0.70 GRIK1 (0.64) GRIK1GRIK2TDP1
SCHEMBL15318070 0.70 HDAC7 (0.45) GRIK1GRIK2TDP1

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-0251408-B1 NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 1991-04-17 EP claimed