SCHEMBL8707231

SCHEMBL8707231

COC(=O)c1cccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3nsnc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
NAMPT P43490 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
EDNRA P25101 2/20 0.38
PFKFB3 Q16875 1/20 0.37
PFKFB4 Q16877 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TCF4 P15884 2/20 0.36
CTNNB1 P35222 2/20 0.36
FOLH1 Q04609 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL8712032 0.93 SLC7A5 (0.43) SLC7A5ADAMTS4MMP13NAMPTCYP4F2
SCHEMBL8709452 0.92 SMN1; SMN2 (0.43) SLC7A5ADAMTS4MMP13NAMPTCYP4F2
SCHEMBL8711199 0.91 MRGPRX4 (0.41) ADAMTS4MMP13EDNRAPFKFB3PFKFB4
SCHEMBL6320795 0.90 EDNRA (0.39) EDNRAITGB3ITGAV
SCHEMBL8706016 0.89 NPC1 (0.44) MMP13NAMPTITGB3ITGAVMAPT
SCHEMBL8705895 0.87 ALDH1A1 (0.41) NAMPTITGB3ITGAVMAPTSMN1; SMN2
SCHEMBL8709414 0.86 POLB (0.41) ADAMTS4MMP13ITGB3ITGAVSMN1; SMN2
SCHEMBL8709540 0.86 ITGB3 (0.43) ADAMTS4ITGB3ITGAV
SCHEMBL8709039 0.86 BCL9 (0.40) MMP13NAMPTITGB3ITGAVCNR1
SCHEMBL8714137 0.85 TARS1 (0.45) MMP13ITGB3ITGAVMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998041515-A1 ENDOTHOLIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 WO disclosed