SCHEMBL22472215

SCHEMBL22472215

C=CC(O)CC(O)CC(=O)O.CC(C)CNCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.38
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
HMGCR P04035 2/20 0.32
ANPEP P15144 1/20 0.32
KISS1R Q969F8 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
SCHEMBL22472213 1.00 SLC22A6 (0.38) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL6477452 0.84 SLC22A6 (0.52) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL15627216 0.84 SLC22A6 (0.52) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL356625 0.84 SLC22A6 (0.52) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL15627215 0.84 SLC22A6 (0.52) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL15627217 0.84 SLC22A6 (0.52) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL4541049 0.84 SLC22A6 (0.52) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL1961185 0.82 SLC22A6 (0.50) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL9730926 0.82 SLC22A6 (0.50) SLC22A6MAPTGABRR1CYP2D6CYP2C19
SCHEMBL30645407 0.82 SLC22A6 (0.50) SLC22A6MAPTGABRR1CYP2D6CYP2C19

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
WO-2020197042-A1 METHOD FOR PREPARING ROSUVASTATIN CALCIUM SALT (주)헥사파마텍 2020-10-01 WO claimed