SCHEMBL27362313

SCHEMBL27362313

CC(C)(CO)C(N)C(=O)O.O=C(O)C(O)CCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
PTGS1 P23219 2/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 1/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
OR51E2 Q9H255 1/20 0.32
TBXAS1 P24557 2/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
GSR P00390 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
SCHEMBL27645451 0.88 GPR84 (0.64) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL27343418 0.87 GPR84 (0.53) GPR84FFAR1PTGS1ALDH1A1MAPT
SCHEMBL27357032 0.86 TET2 (0.44) GPR84FFAR1PTGS1ALDH1A1MAPT
SCHEMBL27363392 0.85 GPR84 (0.40) GPR84FFAR1PTGS1ALDH1A1MAPT
SCHEMBL27308404 0.83 GPR84 (0.43) GPR84FFAR1PTGS1ALDH1A1MAPT
SCHEMBL27431686 0.83 GPR84 (0.38) GPR84FFAR1PTGS1ALDH1A1MAPT
SCHEMBL4956090 0.80 PTGS1 (0.52) PTGS1KCNH2ALDH1A1MAPTGRIK1
SCHEMBL4851556 0.80 PTGS1 (0.52) PTGS1KCNH2ALDH1A1MAPTGRIK1
SCHEMBL27497065 0.80 PTGS1 (0.41) GPR84FFAR1PTGS1KCNH2ALDH1A1
SCHEMBL973943 0.78 GPR84 (0.60) GPR84FFAR1TET2KDM4AKDM4C

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
CN-1058046-A The method for preparing beta-hydroxy-a-amino acid UNIV NOTRE DAME DU LAC (US) 1992-01-22 CN disclosed