SCHEMBL27601909

SCHEMBL27601909

CCCCCCC(C)CC(C)(N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.51
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 2/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CA2 P00918 1/20 0.41
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
CA1 P00915 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
SCHEMBL27620477 0.98 ACE2 (0.49) ACE2GRIK1GRIK2GPR84FFAR1
SCHEMBL27601803 0.85 GGT1 (0.38) ACE2GRIK1GRIK2MAPTSLC1A2
SCHEMBL27620443 0.82 BLM (0.48) ACE2SLC1A2SLC1A1BLM
SCHEMBL22181671 0.82 ACE2 (0.55) ACE2GRIK1GRIK2GPR84FFAR1
SCHEMBL17560001 0.81 ACE2 (0.53) ACE2GRIK1GRIK2GPR84FFAR1
SCHEMBL27620450 0.79 GRIK1 (0.41) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL26597238 0.78 ACE2 (0.50) ACE2GRIK1GRIK2GPR84FFAR1
SCHEMBL26597337 0.78 ACE2 (0.50) ACE2GRIK1GRIK2GPR84FFAR1
SCHEMBL19956854 0.77 OPRM1 (0.44) ACE2GRIK1GRIK2MAPTCA2
SCHEMBL4344392 0.77 GGT1 (0.41) MAPTBLM

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
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN claimed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 CN disclosed
CN-1856301-A Curable beta-amino acid WARNER LAMBERT CO (US) 2006-11-01 CN disclosed
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN disclosed
CN-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 CN disclosed