SCHEMBL28157601

SCHEMBL28157601

C=CCCCC(O)(O)C(=O)O.[CaH2]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.33
ACLY P53396 1/20 0.32
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL3041677 0.98 ABCC4 (0.46) ABCC4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL6120452 0.95 ABCC4 (0.45) ABCC4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL3968169 0.95 ABCC4 (0.45) ABCC4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL12614147 0.91 MAPT (0.52) ABCC4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL4013371 0.76 MAPT (0.48) ABCC4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL5745232 0.76 HIF1A (0.43) MAPTTSHRACLY
SCHEMBL5950908 0.76 MAPT (0.48) ABCC4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL4539892 0.76 ABCC4 (0.39) ABCC4MAPTALDH1A1LMNAL3MBTL1
Zinc Ion SCHEMBL6120455 0.76 ABCC4 (0.39) ABCC4MAPTALDH1A1LMNAL3MBTL1
SCHEMBL5998393 0.74 MAPT (0.42) ABCC4MAPTALDH1A1LMNAL3MBTL1

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-106749032-B A kind of preparation method of novel rosuvastain calcium intermediate 浙江永太药业有限公司 2019-07-16 CN disclosed
CN-106749032-A A kind of preparation method of novel rosuvastain calcium intermediate 浙江永太药业有限公司 2017-05-31 CN disclosed