SCHEMBL9726417

SCHEMBL9726417

COCCOCn1nnc(C(/C=C/C=O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK14 Q16539 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
FYN P06241 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
NPC1 O15118 1/20 0.31
HTR7 P34969 1/20 0.31
HMGCR P04035 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
SCHEMBL9726423 1.00 HSD17B10 (0.36) HSD17B10KDM4EALDH1A1HPGDMAPK14
SCHEMBL9726603 0.90 HSD17B10 (0.38) HSD17B10KDM4EALDH1A1HPGDMAPK14
SCHEMBL9726405 0.83 TRPM8 (0.39) SMN1; SMN2RAB9ANPC1HMGCR
SCHEMBL9726401 0.83 TRPM8 (0.39) SMN1; SMN2RAB9ANPC1HMGCR
SCHEMBL9726834 0.80 HSD17B10 (0.41) HSD17B10KDM4EALDH1A1HPGDMAPK14
SCHEMBL9726839 0.80 HSD17B10 (0.41) HSD17B10KDM4EALDH1A1HPGDMAPK14
SCHEMBL10609441 0.80 HMGCR (0.49) HMGCR
SCHEMBL9726463 0.79 HSD17B10 (0.39) HSD17B10KDM4EALDH1A1HPGDMAPK14
SCHEMBL9726710 0.78 HMGCR (0.39) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9726719 0.78 HMGCR (0.39) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2

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