SCHEMBL9750803

SCHEMBL9750803

C=C(C#N)c1c(-c2ccc(F)cc2)cn(C2CCCCC2)c1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.49
TGFBR1 P36897 5/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
RIPK2 O43353 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
TGFBR2 P37173 1/20 0.31
EGFR P00533 2/20 0.31
MAPK13 O15264 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
GAA P10253 1/20 0.31
ABL1 P00519 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
SCHEMBL9750729 0.82 HMGCR (0.58) HMGCRTGFBR1HSP90AA1HSP90AB1GLA
SCHEMBL9750874 0.79 HMGCR (0.41) HMGCRTGFBR1TGFBR2MAPK13MAPK12
SCHEMBL9521499 0.76 HMGCR (0.62) HMGCRRIPK2GLAPOLB
SCHEMBL9518598 0.76 HMGCR (0.56) HMGCRTGFBR1CYP11B2CYP11B1RIPK2
SCHEMBL9750938 0.74 HMGCR (0.51) HMGCR
SCHEMBL9518373 0.73 HMGCR (0.58) HMGCRRIPK2GLAPOLBEGFR
SCHEMBL9518298 0.70 HMGCR (0.59) HMGCRRIPK2GLAPOLBEGFR
SCHEMBL9518290 0.70 HMGCR (0.59) HMGCRRIPK2GLAPOLBEGFR
SCHEMBL10455380 0.69 HMGCR (0.45) HMGCR
SCHEMBL9732188 0.68 PKM (0.37) POLB

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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed