SCHEMBL11034749

SCHEMBL11034749

C=CCC(OC(CC=C)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
CYP2C19 P33261 1/20 0.41
CPA1 P15085 1/20 0.41
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 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
SCHEMBL28010130 0.87 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL14780782 0.81
SCHEMBL10901902 0.81
SCHEMBL23994267 0.79 HTT (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL28575140 0.78 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL7073739 0.78 PPARA (0.42) GRIK1GRIK2CYP2C19CPA1
SCHEMBL1029946 0.78 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1MAPT
SCHEMBL17800996 0.76 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL3259337 0.76 CPA1 (0.39) GRIK1GRIK2CYP2C19CPA1
SCHEMBL3113041 0.75 GRIK1 (0.31) GRIK1GRIK2

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
US-4543282-A CELLULOSE ETHER, STARCH ETHER, AND WAX HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-24 US disclosed