SCHEMBL9726580

SCHEMBL9726580

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 3/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.34
MAPK14 Q16539 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9726441 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL9726603 0.81 HSD17B10 (0.38) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL9726819 0.81 MAPT (0.41) SMN1; SMN2HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL9726502 0.80 HSD17B10 (0.43) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL9726583 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4ERAB9AMAPT
SCHEMBL9726463 0.79 HSD17B10 (0.39) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL9726417 0.78 HSD17B10 (0.36) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL9726423 0.78 HSD17B10 (0.36) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL9726520 0.77 ADORA2A (0.39) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL9726710 0.77 HMGCR (0.39) SMN1; SMN2HSD17B10ALDH1A1KDM4EHPGD

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