SCHEMBL9726719

SCHEMBL9726719

CCOC(=O)CC(=O)CC(O)C=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn(COCCOC)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 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
SCHEMBL9726710 1.00 HMGCR (0.39) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL9726586 0.88 HMGCR (0.43) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL9726589 0.88 HMGCR (0.43) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL9726497 0.85 HMGCR (0.46) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL9726504 0.85 HMGCR (0.46) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL9726444 0.85 HMGCR (0.46) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL9726438 0.85 HMGCR (0.46) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL10609441 0.84 HMGCR (0.49) HMGCR
SCHEMBL9726863 0.83 HMGCR (0.42) HMGCRKDM4EHPGDHSD17B10HTT
SCHEMBL9726865 0.83 HMGCR (0.42) HMGCRKDM4EHPGDHSD17B10HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed