SCHEMBL4677370

SCHEMBL4677370

CCC[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)NNC(=O)[C@H](N)CC)C(=O)NC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.51
MMP8 P22894 6/20 0.51
MMP2 P08253 6/20 0.51
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TACR1 P25103 1/20 0.40
KLKB1 P03952 3/20 0.40
KLK1 P06870 2/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 1/20 0.40
NPY1R P25929 3/20 0.38
NPY2R P49146 3/20 0.38
NPY4R P50391 3/20 0.38
GHSR Q92847 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
F10 P00742 1/20 0.37
PIN1 Q13526 1/20 0.36

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
SCHEMBL4679584 0.84 MMP2 (0.51) MMP9MMP8MMP2CTSLCTSS
SCHEMBL4683795 0.84 MMP2 (0.51) MMP9MMP8MMP2CTSLCTSS
SCHEMBL4677415 0.83 KISS1R (0.45) MMP9MMP8MMP2CTSLCTSS
SCHEMBL4677382 0.83 KISS1R (0.45) MMP9MMP8MMP2CTSLCTSS
SCHEMBL5557511 0.73 MMP2 (0.54) MMP9MMP8MMP2CTSLCTSS
SCHEMBL760986 0.73 MMP2 (0.60) MMP9MMP8MMP2CTSLCTSS
SCHEMBL5556628 0.70 CTSS (0.76) MMP9MMP8MMP2CTSLCTSS
SCHEMBL8360546 0.69 MMP2 (0.53) MMP9MMP8MMP2MMP1MMP3
SCHEMBL5552080 0.69 MMP2 (0.83) MMP9MMP8MMP2MMP1MMP3
SCHEMBL5552074 0.69 MMP2 (0.83) MMP9MMP8MMP2MMP1MMP3

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
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed