SCHEMBL8722966

SCHEMBL8722966

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.37
ADAMTS4 O75173 1/20 0.37
P2RY12 Q9H244 4/20 0.34
NOD2 Q9HC29 1/20 0.34
DHFR P00374 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CBX4 O00257 2/20 0.33
CBX7 O95931 2/20 0.33
CDYL2 Q8N8U2 2/20 0.33
CBX8 Q9HC52 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL8721920 0.93 DHFR (0.34) P2RY12DHFRCBX4CBX7CDYL2
SCHEMBL8726187 0.92 ADAMTS5 (0.36) ADAMTS5ADAMTS4P2RY12NOD2DHFR
SCHEMBL8726175 0.92 ADAMTS5 (0.36) ADAMTS5ADAMTS4P2RY12NOD2DHFR
SCHEMBL8726173 0.91 NOD2 (0.33) ADAMTS5ADAMTS4P2RY12NOD2DHFR
SCHEMBL8723006 0.85 DHFR (0.33) ADAMTS5P2RY12DHFRMMP2MMP8
SCHEMBL8722059 0.85 ADAMTS5 (0.40) ADAMTS5ADAMTS4P2RY12NOD2NPC1
SCHEMBL8724211 0.84 MAPT (0.41) RAB9AHRH3
SCHEMBL8726470 0.81 PPARG (0.42) ADAMTS5ADAMTS4NPC1RAB9A
SCHEMBL9751830 0.81 EGFR (0.45) P2RY12DHFR
SCHEMBL8726491 0.80 CA2 (0.47) ADAMTS5ADAMTS4DHFRNPC1RAB9A

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