SCHEMBL3100665

SCHEMBL3100665

CCCCCC(CCCCC)[C@@H](N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.53
GRIK2 Q13002 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 1/20 0.52
MAPT P10636 1/20 0.50
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
SLC1A3 P43003 1/20 0.46
LAP3 P28838 2/20 0.45
TP53 P04637 1/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL2983835 1.00 GRIK1 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL2983833 1.00 GRIK1 (0.53) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL28303044 0.98 GPR84 (0.55) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL3024374 0.98 GPR84 (0.55) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL7193866 0.98 GPR84 (0.55) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL8662590 0.91 GRIK1 (0.49) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL21981372 0.89 SLC1A2 (0.48) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL4551050 0.88 GPR84 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL4551049 0.88 GPR84 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL4774070 0.85 CA2 (0.52) GRIK1GRIK2SLC1A2SLC1A1GPR84

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
EP-1885688-B1 ASYMMETRIC HYDROGENATION FOR THE PREPARATION OF DIPHENYLALANINE DERIVATIVES REDDY S LAB EU LTD DR (GB) 2010-09-22 EP disclosed