SCHEMBL8000365

SCHEMBL8000365

O=C(O)C[C@@H](CCCc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.57
MMP1 P03956 9/20 0.57
MMP3 P08254 8/20 0.57
FCER2 P06734 1/20 0.53
GRB2 P62993 3/20 0.52
MMP8 P22894 1/20 0.52
HRH4 Q9H3N8 1/20 0.50

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
SCHEMBL8006981 0.92 MMP1 (0.66) MMP2MMP1MMP3FCER2MMP8
SCHEMBL7987513 0.89 BRS3 (0.59) MMP2MMP1MMP8
SCHEMBL7998156 0.89 CTSS (0.49) MMP2MMP1MMP3FCER2MMP8
SCHEMBL7998151 0.83 MMP2 (0.60) MMP2MMP1MMP3FCER2MMP8
SCHEMBL7999735 0.81 MMP8 (0.65) MMP2MMP1MMP8
SCHEMBL7998845 0.80 MMP2 (0.64) MMP2MMP1MMP3MMP8
SCHEMBL8000479 0.79 BRS3 (0.65) MMP2MMP1MMP3MMP8
SCHEMBL7996645 0.79 NMBR (0.55) MMP2MMP1MMP8
SCHEMBL8000270 0.77 BRS3 (0.57) MMP2MMP1MMP3MMP8
SCHEMBL8000362 0.77 BRS3 (0.61) MMP2MMP1MMP3MMP8

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-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed