SCHEMBL9799071

SCHEMBL9799071

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.35
FYN P06241 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XBP1 P17861 1/20 0.32
MAPT P10636 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CYP19A1 P11511 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28766859 0.82 TRPM8 (0.41) XBP1TRPM8KMT2A
SCHEMBL9799160 0.78 USP2 (0.38) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10610225 0.74 LTA4H (0.31)
SCHEMBL9726463 0.74 HSD17B10 (0.39) MAPK14FYNMKNK1KDM4EALDH1A1
SCHEMBL10608803 0.73 LMNA (0.30)
SCHEMBL9799075 0.73 MAPK14 (0.35) MAPK14FYNMKNK1KDM4EALDH1A1
SCHEMBL10609609 0.72 MAPK14 (0.36) MAPK14FYNMKNK1KDM4EALDH1A1
SCHEMBL9726603 0.72 HSD17B10 (0.38) MAPK14FYNMKNK1KDM4EALDH1A1
SCHEMBL10610752 0.72 MEN1 (0.42) MAPK14FYNMKNK1KDM4EALDH1A1
SCHEMBL9798947 0.70 HMGCR (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed