SCHEMBL8900673

SCHEMBL8900673

C#CC(CC)(C(=O)Oc1c(-c2ccc(F)cc2)nc2ccccc2c1C(C)C)[PH](=O)OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.48
TACR3 P29371 9/20 0.38
DHODH Q02127 2/20 0.36
TACR2 P21452 1/20 0.34
PDE10A Q9Y233 3/20 0.33
CYP2C9 P11712 2/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL8875951 0.86 HMGCR (0.53) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8877114 0.80 HMGCR (0.52) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8877974 0.77 HMGCR (0.52) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8875943 0.75 HMGCR (0.42) HMGCRTACR3DHODHPDE10ACYP2C9
SCHEMBL8877121 0.73 HMGCR (0.54) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8900669 0.72 HMGCR (0.43) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8876883 0.71 HMGCR (0.44) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8877778 0.71 HMGCR (0.38) HMGCR
SCHEMBL8877820 0.70 HMGCR (0.41) HMGCRDHODHPDE10A
SCHEMBL8901358 0.69 HMGCR (0.37) HMGCR

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
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed