SCHEMBL8230345

SCHEMBL8230345

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C(N)=O)n4ncc(F)c4n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP3 P08254 1/20 0.39
CACNA1G O43497 2/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1I Q9P0X4 2/20 0.33
MAPK1 P28482 2/20 0.33
RPS6KA1 Q15418 1/20 0.33
KMT2A Q03164 3/20 0.32
TP53 P04637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
GPR55 Q9Y2T6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PPARG P37231 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
SCHEMBL10163463 0.94 MMP13 (0.39) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL10163459 0.94 MMP13 (0.40) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8231114 0.93 MMP13 (0.39) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8231122 0.93 MMP13 (0.40) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8231125 0.92 MMP13 (0.40) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8225578 0.92 MMP13 (0.38) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8228364 0.92 MMP13 (0.41) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8222833 0.91 MMP13 (0.39) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8230340 0.91 MMP13 (0.39) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8227818 0.90 MMP13 (0.39) MMP13ADAMTS4MMP3CACNA1GCACNA1H

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-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed