SCHEMBL9518598

SCHEMBL9518598

CC(C)c1c(/C=C/C#N)c(-c2ccc(F)cc2)cn1C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.56
TGFBR1 P36897 2/20 0.34
JAK3 P52333 1/20 0.32
RIPK2 O43353 1/20 0.32
MAPK13 O15264 1/20 0.31
EGFR P00533 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
MAPK12 P53778 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
PDPK1 O15530 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL9518298 0.83 HMGCR (0.59) HMGCRRIPK2MAPK13EGFRCSNK1D
SCHEMBL9518290 0.83 HMGCR (0.59) HMGCRRIPK2MAPK13EGFRCSNK1D
SCHEMBL9518373 0.82 HMGCR (0.58) HMGCRRIPK2MAPK13EGFRCSNK1D
SCHEMBL9518155 0.80 HMGCR (0.53) HMGCRTGFBR1MAPK13MAPK12MAPK11
SCHEMBL9750803 0.76 HMGCR (0.49) HMGCRTGFBR1RIPK2MAPK13EGFR
SCHEMBL9521499 0.74 HMGCR (0.62) HMGCRRIPK2
SCHEMBL9750729 0.73 HMGCR (0.58) HMGCRTGFBR1
SCHEMBL9521396 0.72 HMGCR (0.68) HMGCR
SCHEMBL9750985 0.72 HMGCR (1.00) HMGCR
SCHEMBL9024469 0.69 PKM (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300249-B1 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed
US-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed