SCHEMBL8902033

SCHEMBL8902033

CCC(C(=O)Oc1c(-c2ccc(F)cc2C)cc(-c2ccccc2)nc1C(C)C)(C(C)O)[PH](=O)OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 2/20 0.33
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
DHODH Q02127 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
SCHEMBL8877642 0.93 HMGCR (0.35) HMGCRMEN1GAAHPGDKMT2A
SCHEMBL8877698 0.90 HMGCR (0.39) HMGCRHPGD
SCHEMBL8876166 0.85 CTSA (0.33) HMGCRCTSADHODH
SCHEMBL8899819 0.85 HMGCR (0.32) HMGCRCTSADHODH
SCHEMBL8879132 0.82 HMGCR (0.41) HMGCRHPGD
SCHEMBL8876833 0.80 HMGCR (0.33) HMGCRCTSADHODH
SCHEMBL8878253 0.80 HMGCR (0.33) HMGCRMEN1GAAHPGDKMT2A
SCHEMBL8900012 0.79 DHODH (0.36) DHODH
SCHEMBL8877411 0.77 HMGCR (0.40) HMGCR
SCHEMBL8902024 0.77 HMGCR (0.38) HMGCRMEN1GAAHPGDKMT2A

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