SCHEMBL9726787

SCHEMBL9726787

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
HMGCR P04035 1/20 0.38
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
MAPK14 Q16539 2/20 0.34
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
PKM P14618 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 0.90 HSD17B10 (0.41) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL9726834 0.90 HSD17B10 (0.41) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL9798987 0.83 HSD17B10 (0.38) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL9726605 0.82 HSD17B10 (0.43) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL9726806 0.81 HMGCR (0.43) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL10612114 0.81 HSD17B10 (0.41) HSD17B10USP2ALDH1A1HPGDMAPK14
SCHEMBL9726502 0.81 HSD17B10 (0.43) HSD17B10USP2HMGCRALDH1A1HPGD
SCHEMBL10612118 0.81 HSD17B10 (0.41) HSD17B10USP2ALDH1A1HPGDMAPK14
SCHEMBL10612928 0.80 USP2 (0.39) HSD17B10USP2ALDH1A1HPGDMAPK14
SCHEMBL9726873 0.80 HMGCR (0.58) HMGCR

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