SCHEMBL9751007

SCHEMBL9751007

Cc1c(C=CC=O)c(-c2ccc(F)cc2)cn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.56
ABCB1 P08183 1/20 0.44
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTGS2 P35354 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 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
SCHEMBL9751002 1.00 HMGCR (0.56) HMGCRABCB1POLBALDH1A1MAPT
SCHEMBL9750954 0.87 HMGCR (0.57) HMGCRABCB1POLBALDH1A1MAPT
SCHEMBL9750818 0.84 HMGCR (0.59) HMGCRABCB1POLBALDH1A1MAPT
SCHEMBL9518353 0.84 HMGCR (0.59) HMGCRABCB1POLBALDH1A1MAPT
SCHEMBL9750981 0.81 HMGCR (0.53) HMGCRABCB1ALDH1A1MAPTMEN1
SCHEMBL9518535 0.76 HMGCR (0.54) HMGCRABCB1PTGS2
SCHEMBL9750926 0.76 HMGCR (0.54) HMGCRABCB1PTGS2
SCHEMBL9521513 0.75 HMGCR (0.55) HMGCRPOLBALDH1A1MEN1KMT2A
SCHEMBL9750922 0.75 HMGCR (0.55) HMGCRPOLBALDH1A1MEN1KMT2A
SCHEMBL9756864 0.73 HMGCR (0.38) HMGCRALDH1A1MEN1KMT2APTGS2

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