SCHEMBL8726173

SCHEMBL8726173

Cc1cc(N(CCO)CCO)ccc1-c1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.33
DHFR P00374 3/20 0.32
P2RY12 Q9H244 1/20 0.32
CBX4 O00257 2/20 0.32
CBX7 O95931 2/20 0.32
CDYL2 Q8N8U2 2/20 0.32
CBX8 Q9HC52 2/20 0.32
ADAMTS4 O75173 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
KDR P35968 1/20 0.32
ROCK2 O75116 2/20 0.31
PTPRC P08575 2/20 0.31
MAPK14 Q16539 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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 0.91 ADAMTS5 (0.37) NOD2DHFRP2RY12CBX4CBX7
SCHEMBL8721920 0.86 DHFR (0.34) DHFRP2RY12CBX4CBX7CDYL2
SCHEMBL8726187 0.83 ADAMTS5 (0.36) NOD2DHFRP2RY12ADAMTS4ADAMTS5
SCHEMBL8726175 0.83 ADAMTS5 (0.36) NOD2DHFRP2RY12ADAMTS4ADAMTS5
SCHEMBL8723006 0.78 DHFR (0.33) DHFRP2RY12CBX4CBX7CDYL2
SCHEMBL8722059 0.78 ADAMTS5 (0.40) NOD2P2RY12ADAMTS4ADAMTS5
SCHEMBL8722076 0.76 CA2 (0.41) DHFRADAMTS4ADAMTS5
SCHEMBL8724211 0.76 MAPT (0.41)
SCHEMBL8726470 0.75 PPARG (0.42) ADAMTS4ADAMTS5
SCHEMBL9751830 0.74 EGFR (0.45) DHFRP2RY12

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