SCHEMBL9813656

SCHEMBL9813656

O=C(O)C(CO)=C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.55
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIK3 Q13003 1/20 0.52
GRIK5 Q16478 1/20 0.52
OR51E2 Q9H255 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6682947 0.79 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6341738 0.79 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL17165762 0.76 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL8877421 0.74 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL17165763 0.71 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA4GRIK3
Butane SCHEMBL4661674 0.71 GRIK1 (0.46) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL8399846 0.71 GRIK1 (1.00) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL11226300 0.70 GPR84 (0.45) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL13917775 0.70 GRIK1 (0.46) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6693083 0.69 GRIK1 (0.33) GRIK1GRIA1GRIA2GRIA4GRIK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219199-B1 METHOD FOR PREPARATION OF LACTONES COULSTON INTERNATIONAL CORPORATION (US) 1991-07-31 EP disclosed
US-4772728-A AND ALDEHYDE ANGUS CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0219199-A1 Method for preparation of lactones COULSTON INTERNATIONAL CORPORATION (US) 1987-04-22 EP disclosed