SCHEMBL8726175

SCHEMBL8726175

C[C@H](NC(=O)c1ccc(-c2ccc(N(CCI)CCI)cc2)cc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.36
ADAMTS4 O75173 1/20 0.36
P2RY12 Q9H244 5/20 0.34
DHFR P00374 3/20 0.34
NOD2 Q9HC29 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSC P53634 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL8722966 0.92 ADAMTS5 (0.37) ADAMTS5ADAMTS4P2RY12DHFRNOD2
SCHEMBL8726187 0.91 ADAMTS5 (0.36) ADAMTS5ADAMTS4P2RY12DHFRNOD2
SCHEMBL8721920 0.85 DHFR (0.34) P2RY12DHFR
SCHEMBL8723006 0.84 DHFR (0.33) ADAMTS5P2RY12DHFRMMP2MMP8
SCHEMBL8722059 0.84 ADAMTS5 (0.40) ADAMTS5ADAMTS4P2RY12NOD2NPC1
SCHEMBL8726173 0.83 NOD2 (0.33) ADAMTS5ADAMTS4P2RY12DHFRNOD2
SCHEMBL8726470 0.81 PPARG (0.42) ADAMTS5ADAMTS4NPC1RAB9A
SCHEMBL8722053 0.80 CA2 (0.46) ADAMTS5ADAMTS4DHFRNPC1RAB9A
SCHEMBL9751830 0.80 EGFR (0.45) P2RY12DHFR
SCHEMBL7903878 0.78 PPARG (0.34) P2RY12NPC1RAB9ACTSS

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-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed