SCHEMBL27447240

SCHEMBL27447240

CC(C)(CO)C(N)C(=O)O.COC(=O)C(O)CCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.34
BHMT Q93088 2/20 0.33
TSHR P16473 1/20 0.33
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
FOLH1 Q04609 3/20 0.33
ALDH1A1 P00352 2/20 0.32
TET2 Q6N021 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
TET3 O43151 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 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
SCHEMBL27357032 0.87 TET2 (0.44) ENPEPBHMTFOLH1ALDH1A1TET2
SCHEMBL4748334 0.81 TSHR (0.48) ENPEPTSHRALDH1A1TET2KDM4A
SCHEMBL27343418 0.74 GPR84 (0.53) ALDH1A1TET2KDM4AKDM4CKDM2A
SCHEMBL27362313 0.74 GPR84 (0.44) ALDH1A1TET2KDM4AKDM4CKDM2A
SCHEMBL4851556 0.73 PTGS1 (0.52) ALDH1A1PTGS1MAPTGRIK1SLC1A3
SCHEMBL4956090 0.73 PTGS1 (0.52) ALDH1A1PTGS1MAPTGRIK1SLC1A3
SCHEMBL27645451 0.71 GPR84 (0.64) MAPTCYP1A2GRIK1SLC1A2SLC1A1
SCHEMBL27431686 0.70 GPR84 (0.38) ALDH1A1TET2KDM4AKDM4CKDM2A
Lactic Acid SCHEMBL27555157 0.70 TP53 (0.46) ENPEPALDH1A1GABRPGABRDGABRA1
SCHEMBL27308404 0.70 GPR84 (0.43) ALDH1A1TET2KDM4AKDM4CKDM2A

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