SCHEMBL29065640

SCHEMBL29065640

CCCCCCCCCCCCCCCCCCc1c(O)ccc(OP(=O)(O)O)c1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.42
TYR P14679 1/20 0.42
ENPP2 Q13822 1/20 0.42
INPPL1 O15357 1/20 0.40
AKT1 P31749 1/20 0.40
INPP5A Q14642 1/20 0.40
S1PR2 O95136 2/20 0.39
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
PLK1 P53350 1/20 0.39
KAT8 Q9H7Z6 2/20 0.38

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
SCHEMBL456734 0.87 ENPP2 (0.43) ALOX5ENPP2INPPL1AKT1INPP5A
SCHEMBL10596248 0.87 ENPP2 (0.43) ALOX5ENPP2INPPL1AKT1INPP5A
SCHEMBL9329182 0.85 TYR (0.42) ALOX5TYRENPP2INPPL1AKT1
SCHEMBL290843 0.85 TYR (0.42) ALOX5TYRENPP2INPPL1AKT1
SCHEMBL17491578 0.85 TYR (0.42) ALOX5TYRENPP2INPPL1AKT1
SCHEMBL10350945 0.85 TYR (0.42) ALOX5TYRENPP2INPPL1AKT1
SCHEMBL11128600 0.85 TYR (0.42) ALOX5TYRENPP2INPPL1AKT1
SCHEMBL8958556 0.85 TYR (0.42) ALOX5TYRENPP2INPPL1AKT1
SCHEMBL29892389 0.85 TYR (0.42) ALOX5TYRENPP2INPPL1AKT1
SCHEMBL9330215 0.83 ENPP2 (0.40) ENPP2INPPL1AKT1INPP5AS1PR2

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-114426761-B Biodegradable polyester material and method for producing same 财团法人工业技术研究院 2023-09-08 CN disclosed