SCHEMBL9726463

SCHEMBL9726463

COCCOCn1nnc(C(CO)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK14 Q16539 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
FYN P06241 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
MAPT P10636 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL9726603 0.82 HSD17B10 (0.38) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL9726587 0.80 TRPM8 (0.43) KMT2ASMN1; SMN2RAB9ANPC1TRPM8
SCHEMBL9726417 0.79 HSD17B10 (0.36) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL9726423 0.79 HSD17B10 (0.36) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL9726580 0.79 SMN1; SMN2 (0.41) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL9799075 0.79 MAPK14 (0.35) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL9726605 0.77 HSD17B10 (0.43) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL9726744 0.74 ESR2 (0.33) SMN1; SMN2RAB9A
SCHEMBL9799071 0.74 MAPK14 (0.35) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL10609609 0.73 MAPK14 (0.36) HSD17B10KDM4EALDH1A1HPGDKMT2A

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