SCHEMBL28771817

SCHEMBL28771817

CCCOC(=O)C[C@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.41
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1455380 1.00 HSD17B10 (0.43) HSD17B10MAPTNAAADGKAALDH1A1
SCHEMBL28676786 1.00 HSD17B10 (0.43) HSD17B10MAPTNAAADGKAALDH1A1
SCHEMBL27668113 0.98 HSD17B10 (0.41) HSD17B10MAPTNAAADGKAALDH1A1
SCHEMBL9059521 0.88 ADRA2A (0.41) MAPTNAAADGKAADRA2AADRA1A
SCHEMBL19996624 0.88 ADRA2A (0.41) MAPTNAAADGKAADRA2AADRA1A
SCHEMBL15927988 0.87 ALDH1A1 (0.50) MAPTNAAADGKAALDH1A1HCAR2
SCHEMBL1455543 0.87 ALDH1A1 (0.50) MAPTNAAADGKAALDH1A1HCAR2
SCHEMBL13147735 0.87 ALDH1A1 (0.50) MAPTNAAADGKAALDH1A1HCAR2
SCHEMBL5907623 0.85 NAAA (0.59) MAPTNAAADGKAALDH1A1HCAR2
SCHEMBL28676181 0.85 NAAA (0.59) MAPTNAAADGKAALDH1A1HCAR2

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-101143823-A Method for preparing optical activity 3-hydroxycarboxylate LANZHOU CHEM PHYS INST (CN) 2008-03-19 CN disclosed