SCHEMBL28062082

SCHEMBL28062082

CCCCC(C(=O)O)C1CCOOC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
METAP1 P53582 1/20 0.32
MAPT P10636 2/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL4978274 0.79 CA2 (0.47) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL27985308 0.78 CA1 (0.31) CA2
SCHEMBL5696321 0.78 LCK (0.44) SLC1A2SLC1A1GPR84FFAR1MAPT
SCHEMBL407615 0.76 CA2 (0.44) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL1527354 0.76 CA2 (0.44) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL28220778 0.76 CA2 (0.38) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL27981769 0.76 CA2 (0.40) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL435610 0.75 CYP2C9 (0.45) CA2MAPK1METAP1LCKPPARD
SCHEMBL1571118 0.74 GRIK1 (0.34)
SCHEMBL9722690 0.73 CA2 (0.41) CA2MAPK1SLC1A3SLC1A2SLC1A1

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-104059048-B A kind of preparation method of the chiral intermediate for statins 凯莱英医药集团(天津)股份有限公司 2016-06-08 CN disclosed