SCHEMBL8877421

SCHEMBL8877421

NOCC(C(=O)O)=C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.53
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA4 P48058 1/20 0.50
GRIK3 Q13003 1/20 0.50
GRIK5 Q16478 1/20 0.50
TSHR P16473 1/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL9813656 0.74 GRIK1 (0.55) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6341738 0.72 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6682947 0.72 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL13917775 0.72 GRIK1 (0.46) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL17165762 0.70 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL8399846 0.69 GRIK1 (1.00) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL30727799 0.68 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6555623 0.67 GRIK1 (0.43) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL14598192 0.67 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6551852 0.67 GRIK1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602196-A OXIDATION AND HEAT RESISTANCE; PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1997-02-11 US disclosed
EP-0716076-A2 Bisphenolester derivatives CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed