SCHEMBL17213409

SCHEMBL17213409

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CYP2C19 P33261 1/20 0.36
CPA1 P15085 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL4798136 0.85 SLC1A3 (0.45) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2987273 0.85 SLC1A3 (0.45) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2987274 0.85 SLC1A3 (0.45) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL6530499 0.83 GRIK1 (0.39) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8020514 0.83 GRIK1 (0.39) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL23688391 0.83 GRIK1 (0.39) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL6530502 0.83 GRIK1 (0.39) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8017237 0.83 GRIK1 (0.39) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL1133379 0.79 GRIK1 (0.46) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
Urea SCHEMBL29215668 0.79 SLC1A3 (0.45) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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-20150307855-A1 Producing 3-Hydroxycarboxylic Acid and Ketone Using Polyketide Synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 US disclosed