SCHEMBL8900669

SCHEMBL8900669

C#CC(CC[PH](=O)OC)(C(=O)O)c1c(-c2ccc(F)cc2)nc2ccccc2c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.43
TACR3 P29371 5/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE7A Q13946 1/20 0.34
PDE7B Q9NP56 1/20 0.34
DHODH Q02127 3/20 0.33
PDE10A Q9Y233 1/20 0.33
SCN9A Q15858 5/20 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
SCHEMBL8875943 0.79 HMGCR (0.42) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8877102 0.76 HMGCR (0.42) HMGCRTACR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL8877966 0.74 HMGCR (0.46) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8875893 0.73 HMGCR (0.44) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8900673 0.72 HMGCR (0.48) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8876026 0.72 HMGCR (0.37) HMGCRTACR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL8875951 0.71 HMGCR (0.53) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8875947 0.71 HMGCR (0.46) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8900670 0.69 HMGCR (0.43) HMGCRTACR3DHODHPDE10ASCN9A
SCHEMBL8877114 0.69 HMGCR (0.52) HMGCRTACR3DHODHPDE10ASCN9A

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