SCHEMBL482980

SCHEMBL482980

CCCCC(CC)CC(CO)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 3/20 0.55
SLC1A1 P43005 3/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A3 P43003 1/20 0.49
TDP1 Q9NUW8 3/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43

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
SCHEMBL1121833 0.90 CA2 (0.63) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL867735 0.89 CA2 (0.67) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL191565 0.89 CA2 (0.67) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL3128633 0.87 CA2 (0.64) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL3824905 0.87 CA2 (0.59) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL2230971 0.85 CA2 (0.62) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL8830714 0.85 CA2 (0.62) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL160551 0.84 GRIK1 (0.62) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL592984 0.84 CA2 (0.55) CA2MAPK1ALDH1A1SLC1A1SLC1A2
SCHEMBL3993632 0.84 CA2 (0.55) CA2MAPK1ALDH1A1SLC1A1SLC1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343874-B1 CELLS COMPRISING LACTYL-COA DEHYDRATASE, 3-HYDROXYPROPIONYL-COA DEHYDRATASE OR A MULTIENZYME COMPLEX ISOLATED FROM MEGASPHAERA ELSDENII AND CHLOROFLEXUS AURANTIACUS FOR THE PRODUCTION OF 3-HYDROXYPROPIONIC ACID CARGILL INC (US) 2012-10-03 EP claimed
EP-1706457-B1 PRODUCTION OF 3-HYDROXYPROPIONIC ACID USING BETA-ALANINE/PYRUVATE AMINOTRANSFERASE NOVOZYMES AS (DK) 2012-02-01 EP claimed
EP-1575881-B1 ALANINE 2,3- AMINOMUTASE NOVOZYMES AS (DK) 2009-05-27 EP claimed