SCHEMBL9756865

SCHEMBL9756865

Cc1c(C(C)C)c(C=CC=O)c(-c2ccc(F)cc2)n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.34
LMNA P02545 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL9756864 1.00 HMGCR (0.38) HMGCRMEN1KMT2APTGS2PTGS1
SCHEMBL9764105 0.88 MEN1 (0.39) HMGCRMEN1KMT2APTGS2PTGS1
SCHEMBL9750902 0.79 HMGCR (0.46) HMGCRMEN1KMT2APTGS2KDM4E
SCHEMBL9750899 0.79 HMGCR (0.46) HMGCRMEN1KMT2APTGS2KDM4E
SCHEMBL9756748 0.78 HMGCR (0.48) HMGCR
SCHEMBL9756747 0.78 HMGCR (0.48) HMGCR
SCHEMBL9521513 0.77 HMGCR (0.55) HMGCRMEN1KMT2APTGS2PTGS1
SCHEMBL9750922 0.77 HMGCR (0.55) HMGCRMEN1KMT2APTGS2PTGS1
SCHEMBL10691696 0.75 ALDH1A1 (0.36) HMGCRMEN1KMT2ALMNAKDM4E
SCHEMBL9756785 0.75 HMGCR (0.56) 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-4992462-A Inhibitor of HMG-CoA reductase BAYER AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed