SCHEMBL4624083

SCHEMBL4624083

CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccc(F)c(F)c2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.64
MMP2 P08253 1/20 0.64
MMP8 P22894 1/20 0.64
MMP12 P39900 1/20 0.64
ADAMTS4 O75173 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
FOLH1 Q04609 1/20 0.39
ACKR3 P25106 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
HPGDS O60760 3/20 0.38
PRSS1 P07477 1/20 0.37
TMPRSS15 P98073 1/20 0.37

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
SCHEMBL2249511 0.94 ADAMTS5 (0.69) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2247372 0.91 ADAMTS5 (0.64) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2247404 0.91 ADAMTS5 (0.71) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2244952 0.90 ADAMTS5 (0.70) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2254224 0.86 ADAMTS5 (0.60) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2243910 0.86 ADAMTS5 (0.56) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2247930 0.86 ADAMTS5 (0.62) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL5653579 0.85 ADAMTS5 (0.84) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2247435 0.84 ADAMTS5 (0.60) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2249785 0.84 ADAMTS5 (0.58) ADAMTS5MMP2MMP8MMP12ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed