SCHEMBL9726438

SCHEMBL9726438

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.46
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9726444 1.00 HMGCR (0.46) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726586 0.91 HMGCR (0.43) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726589 0.91 HMGCR (0.43) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726567 0.90 HMGCR (0.44) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726560 0.90 HMGCR (0.44) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726865 0.89 HMGCR (0.42) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726863 0.89 HMGCR (0.42) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9727002 0.88 HMGCR (0.56) HMGCR
SCHEMBL9726639 0.85 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726642 0.85 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10

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