SCHEMBL4286161

SCHEMBL4286161

CCCCC(C(=O)O)C(O)CC(O)CC#N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
SLC1A3 P43003 1/20 0.36
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
MAPT P10636 1/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
TSHR P16473 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
SCHEMBL6240565 0.87 CA2 (0.41) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL3007124 0.77 GPR84 (0.55) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL2232330 0.77 GPR84 (0.55) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL6239351 0.76 CHRM1 (0.40) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL27825022 0.76 GPR84 (0.53) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL22552930 0.75 CA2 (0.50) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL22552932 0.75 CA2 (0.50) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL48780 0.74 CA2 (0.48) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL28099107 0.74 CA2 (0.54) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL3501156 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9228214-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2016-01-05 US disclosed
US-20150152451-A1 PROCESS FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXY KETO COMPOUNDS CAMBREX IEP GMBH (DE) 2015-06-04 US disclosed
US-8980592-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2015-03-17 US disclosed
US-20090221044-A1 Process for the Enantioselective Enzymatic Reduction of Hydroxy Keto Compounds IEP GMBH (DE) 2009-09-03 US disclosed