SCHEMBL9435948

SCHEMBL9435948

C=CCC(C#CI)NC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
CYP2C19 P33261 1/20 0.30
CPA1 P15085 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
SCHEMBL4148404 0.77 CTSC (0.35) GRIK1GRIK2CYP2C19CPA1
SCHEMBL10464154 0.67
SCHEMBL22031609 0.66
SCHEMBL22031610 0.66
SCHEMBL27992132 0.66 TSHR (0.35) GRIK1GRIK2CYP2C19CPA1
SCHEMBL29800143 0.66
SCHEMBL22469164 0.64 CPA1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL22469647 0.64 CTSK (0.35) GRIK1GRIK2CYP2C19CPA1
SCHEMBL2370207 0.64 CPA1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL19745326 0.64 CTSK (0.35) 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
JP-6345710-A None JP disclosed
JP-H06345710-A PREPARATION OF IODOPROPARGYL CARBAMATE ROHM & HAAS CO 1994-12-20 JP disclosed