SCHEMBL9726834

SCHEMBL9726834

COCCOCn1nnnc1C(/C=C/C=O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
HMGCR P04035 2/20 0.40
MAPK14 Q16539 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9726839 1.00 HSD17B10 (0.41) HSD17B10USP2HMGCRMAPK14ALDH1A1
SCHEMBL9726787 0.90 HSD17B10 (0.43) HSD17B10USP2HMGCRMAPK14ALDH1A1
SCHEMBL9726767 0.83 HMGCR (0.45) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL9726771 0.83 HMGCR (0.45) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL9726876 0.80 HMGCR (0.58) HMGCR
SCHEMBL9726873 0.80 HMGCR (0.58) HMGCR
SCHEMBL9726423 0.80 HSD17B10 (0.36) HSD17B10USP2HMGCRMAPK14ALDH1A1
SCHEMBL9726417 0.80 HSD17B10 (0.36) HSD17B10USP2HMGCRMAPK14ALDH1A1
SCHEMBL9726497 0.79 HMGCR (0.46) HSD17B10USP2HMGCRHPGDKDM4E
SCHEMBL9726504 0.79 HMGCR (0.46) HSD17B10USP2HMGCRHPGDKDM4E

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