SCHEMBL9750837

SCHEMBL9750837

CC(C)c1c(C=O)c(-c2ccc(F)cc2)cn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.58
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ABCB1 P08183 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL9750818 0.88 HMGCR (0.59) HMGCRPOLBALDH1A1MAPTABCB1
SCHEMBL9518353 0.88 HMGCR (0.59) HMGCRPOLBALDH1A1MAPTABCB1
SCHEMBL8846389 0.87 HMGCR (0.55) HMGCRALDH1A1MAPTABCB1KDM4E
SCHEMBL9750954 0.82 HMGCR (0.57) HMGCRPOLBALDH1A1MAPTABCB1
SCHEMBL9750852 0.80 HMGCR (0.53) HMGCRALDH1A1MAPTABCB1KDM4E
SCHEMBL9024748 0.79 ELAVL1 (0.45) HMGCRL3MBTL1PTGS2
SCHEMBL9751046 0.78 HMGCR (0.55) HMGCRALDH1A1PTGS2
SCHEMBL9518442 0.77 HMGCR (0.51) HMGCRALDH1A1MAPTABCB1KDM4E
SCHEMBL9518920 0.74 HMGCR (0.67) HMGCR
SCHEMBL9750972 0.74 HMGCR (1.00) 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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed