SCHEMBL7202052

SCHEMBL7202052

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CPA1 P15085 1/20 0.34
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL4819461 0.86 GRIK1 (0.42) GRIK1GRIK2CA1CA2CPA1
SCHEMBL26088512 0.83 GRIK1 (0.47) GRIK1GRIK2CA1CA2CPA1
SCHEMBL10898377 0.82 GRIK1 (0.40) GRIK1GRIK2CA1CA2CPA1
SCHEMBL30197469 0.81 CA2 (0.53) GRIK1GRIK2CA1CA2GPR84
SCHEMBL27448303 0.81 CA2 (0.53) GRIK1GRIK2CA1CA2GPR84
SCHEMBL4013782 0.81 CA2 (0.53) GRIK1GRIK2CA1CA2GPR84
SCHEMBL10441902 0.81 CA2 (0.53) GRIK1GRIK2CA1CA2GPR84
SCHEMBL28209930 0.81 CA2 (0.53) GRIK1GRIK2CA1CA2GPR84
SCHEMBL4019615 0.81 CA2 (0.53) GRIK1GRIK2CA1CA2GPR84
SCHEMBL28191059 0.81 CA2 (0.62) GRIK1GRIK2CA1CA2MEN1

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
WO-2003051813-A1 METHODS OF MAKING INTERMEDIATES FROM POLYHYDROXYALKANOATES METABOLIX, INC. (US) 2003-06-26 WO claimed