SCHEMBL8927709

SCHEMBL8927709

C=CCC(C(=C)C(=O)O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CYP2C19 P33261 1/20 0.32
CPA1 P15085 1/20 0.32

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
SCHEMBL8921497 0.85 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL253739 0.85 GRIK1 (0.41) GRIK1GRIK2CYP2C19CPA1
SCHEMBL6131545 0.82 GRIK1 (0.40) GRIK1GRIK2CYP2C19CPA1
Acrylic Acid SCHEMBL7912484 0.79 ALOX15 (0.42) GRIK1GRIK2CYP2C19CPA1
SCHEMBL6436139 0.74 GRIK1 (0.48) GRIK1GRIK2CYP2C19CPA1
SCHEMBL30949 0.74 GRIK1 (0.48) GRIK1GRIK2CYP2C19CPA1
SCHEMBL1417130 0.74 GRIK1 (0.35) GRIK1GRIK2CYP2C19CPA1
SCHEMBL8852391 0.74 CA1 (0.34) GRIK1GRIK2
SCHEMBL362182 0.73 GRIK1 (0.47) GRIK1GRIK2CYP2C19CPA1
Hydrochloric Acid SCHEMBL6447260 0.72 GRIK1 (0.47) GRIK1GRIK2CYP2C19CPA1

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-5698270-A Process for the preparation of antiscratch and antiabrasion shaped articles based on acrylic polymers ATOHAAS HOLDING C.V. 1997-12-16 US claimed
US-5698270-A Process for the preparation of antiscratch and antiabrasion shaped articles based on acrylic polymers ATOHAAS HOLDING C.V. 1997-12-16 US disclosed