SCHEMBL599199

SCHEMBL599199

CCC[C@H](O)[C@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.39
GRIK1 P39086 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL5499857 1.00 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13747951 1.00 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1715964 1.00 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7761200 0.86 CA2 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13747871 0.86 CA2 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7805104 0.86 CA2 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17527088 0.86 CA2 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3680620 0.84 GPR84 (0.57) GPR84FFAR1ACE2
SCHEMBL1271078 0.82 GPR84 (0.61) GPR84FFAR1ACE2
SCHEMBL7083484 0.82 GPR84 (0.61) GPR84FFAR1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524476-B2 Bacterium producing a product of a reaction catalyzed by a protein having 2-oxoglutarate-dependent enzyme activity and a method for manufacturing the product AJINOMOTO CO., INC. (JP) 2013-09-03 US disclosed
US-8114651-B2 Method for producing 4-hydroxy-L-isoleucine AJINOMOTO CO., INC. (JP) 2012-02-14 US disclosed
WO-2011021717-A2 METHOD FOR PRODUCING HYDROXYLATED AMINO ACIDS AJINOMOTO CO.,INC. (JP) 2011-02-24 WO disclosed
US-20100330622-A1 BACTERIUM PRODUCING A PRODUCT OF A REACTION CATALYZED BY A PROTEIN HAVING 2-OXOGLUTARATE-DEPENDENT ENZYME ACTIVITY AND A METHOD FOR MANUFACTURING THE PRODUCT AJINOMOTO CO., INC. (JP) 2010-12-30 US disclosed
WO-2009103953-A1 TREATMENT OF ENERGY UTILIZATION DISEASE SUMMIT CORPORATION PLC (GB) 2009-08-27 WO disclosed