SCHEMBL8901879

SCHEMBL8901879

C#CC(C(=O)Oc1c(-c2ccc(F)cc2)cc(C2CC2)nc1C(C)C)(C(C)O)[PH](=O)OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL8876647 0.92 HMGCR (0.37) HMGCRKDM4ENPSR1HTTL3MBTL1
SCHEMBL8877277 0.88 HMGCR (0.33) HMGCR
SCHEMBL8877188 0.88 HMGCR (0.42) HMGCRKDM4ENPSR1HTTL3MBTL1
SCHEMBL8878142 0.87 HMGCR (0.35) HMGCR
SCHEMBL8876785 0.86
SCHEMBL8878963 0.86 SQOR (0.38) HMGCR
SCHEMBL8876138 0.85 SQOR (0.35) KDM4ENPSR1LMNAHPGD
SCHEMBL8878114 0.85 GCGR (0.33)
SCHEMBL8879048 0.85 MEN1 (0.37) KDM4ENPSR1L3MBTL1MAPTHPGD
SCHEMBL8879106 0.85 PPARG (0.33)

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