SCHEMBL27363392

SCHEMBL27363392

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
TET2 Q6N021 3/20 0.30
KDM4A O75164 2/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
TET3 O43151 1/20 0.30

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
SCHEMBL27362313 0.85 GPR84 (0.44) GPR84FFAR1ALDH1A1MAPTPTGS1
SCHEMBL27645451 0.82 GPR84 (0.64) GPR84FFAR1MAPT
SCHEMBL27343418 0.82 GPR84 (0.53) GPR84FFAR1ALDH1A1MAPTPTGS1
SCHEMBL27357032 0.81 TET2 (0.44) GPR84FFAR1ALDH1A1MAPTPTGS1
SCHEMBL9477783 0.79 GPR84 (0.54) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL27308404 0.79 GPR84 (0.43) GPR84FFAR1ALDH1A1MAPTPTGS1
SCHEMBL27431686 0.78 GPR84 (0.38) GPR84FFAR1ALDH1A1MAPTPTGS1
SCHEMBL14798191 0.78 GPR84 (0.57) GPR84FFAR1ALDH1A1MAPTTET2
SCHEMBL8152818 0.78 GPR84 (0.57) GPR84FFAR1ALDH1A1MAPTTET2
SCHEMBL4956090 0.76 PTGS1 (0.52) ALDH1A1MAPTPTGS1

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