SCHEMBL8552851

SCHEMBL8552851

C=CCOC(=O)c1ccc(CSC2CC(=O)N2CC(=O)NCCCCCCc2ccc(F)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 6/20 0.39
ASAH1 Q13510 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
NAMPT P43490 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
CREBBP Q92793 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8592738 0.90 PLA2G7 (0.41) PLA2G7ASAH1KDM4EALDH1A1TDP1
SCHEMBL8440371 0.85 PLA2G7 (0.40) PLA2G7ASAH1KDM4EALDH1A1TDP1
SCHEMBL8094854 0.85 PLA2G7 (0.39) PLA2G7ASAH1KDM4EALDH1A1TDP1
SCHEMBL8593281 0.84 PLA2G7 (0.34) PLA2G7ASAH1KDM4EALDH1A1TDP1
SCHEMBL8108497 0.83 PLA2G7 (0.38) PLA2G7ASAH1KDM4EALDH1A1TDP1
SCHEMBL8594638 0.80 PLA2G7 (0.41) PLA2G7ASAH1KDM4EALDH1A1TDP1
SCHEMBL8443487 0.79 KMT2A (0.48) PLA2G7ASAH1KDM4EALDH1A1TDP1
SCHEMBL8440358 0.77 PLA2G7 (0.44) PLA2G7KDM4EALDH1A1TDP1POLB
SCHEMBL8438730 0.77 PLA2G7 (0.45) PLA2G7KDM4EALDH1A1TDP1TSHR
SCHEMBL8094721 0.77 PLA2G7 (0.43) PLA2G7ASAH1KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed