SCHEMBL9750845

SCHEMBL9750845

Cc1c(C=O)c(-c2ccc(F)cc2)cn1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.56
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ABCB1 P08183 1/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
MET P08581 1/20 0.34
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL9750926 0.86 HMGCR (0.54) HMGCRADORA2AADORA1ABCB1PTGS2
SCHEMBL9518535 0.86 HMGCR (0.54) HMGCRADORA2AADORA1ABCB1PTGS2
SCHEMBL9751046 0.84 HMGCR (0.55) HMGCRALDH1A1ADORA2AADORA1PTGS2
SCHEMBL9521360 0.74 HMGCR (0.57) HMGCRPTGDR2
SCHEMBL9750954 0.74 HMGCR (0.57) HMGCRALDH1A1ABCB1LMNAPTGS2
SCHEMBL9518437 0.73 HMGCR (0.56) HMGCRADORA2AADORA1PTGS2PTGS1
SCHEMBL9750945 0.73 HMGCR (0.56) HMGCRADORA2AADORA1PTGS2PTGS1
SCHEMBL9750882 0.73 HMGCR (1.00) HMGCR
SCHEMBL10505092 0.73 HMGCR (0.52) HMGCRABCB1
SCHEMBL9518755 0.71 SLC6A4 (0.47) HMGCRALDH1A1ABCB1LMNAPTGS1

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