SCHEMBL8337164

SCHEMBL8337164

CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.53
FCER2 P06734 3/20 0.53
MMP2 P08253 13/20 0.50
MMP3 P08254 7/20 0.50
MMP8 P22894 4/20 0.49
MMP9 P14780 3/20 0.49
MMP7 P09237 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8334980 0.82 ALDH1A1 (0.57) MEN1KMT2A
SCHEMBL8337125 0.80 TSHR (0.56) MMP1FCER2MMP2MMP3
SCHEMBL8337801 0.80 L3MBTL1 (0.60) KMT2A
SCHEMBL22962378 0.80 MMP1 (0.64) MMP1FCER2MMP2MMP3MMP8
SCHEMBL19361059 0.80 MMP1 (0.64) MMP1FCER2MMP2MMP3MMP8
SCHEMBL13956888 0.78 CTSL (0.70) MMP1FCER2KMT2A
SCHEMBL2304310 0.78 MMP1 (0.50) MMP1FCER2MMP2MMP3MMP8
SCHEMBL8337010 0.78 MMP1 (0.48) MMP1FCER2MMP2MMP3MMP8
SCHEMBL8338378 0.77 CTSD (0.52)
SCHEMBL25139614 0.77 MMP1 (0.64) MMP1FCER2MMP2MMP3MMP8

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-2004101494-A1 CALPAIN INHIBITORS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2004-11-25 WO disclosed