SCHEMBL8906141

SCHEMBL8906141

CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1csc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 9/20 0.55
MMP2 P08253 5/20 0.55
MMP9 P14780 5/20 0.55
PYGL P06737 2/20 0.51
MMP1 P03956 10/20 0.50
FCER2 P06734 2/20 0.50
MMP3 P08254 8/20 0.47
MMP7 P09237 3/20 0.47
TP53 P04637 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TACR1 P25103 1/20 0.44

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
SCHEMBL8906236 0.86 MMP9 (0.55) MMP8MMP2MMP9PYGLMMP1
SCHEMBL8905827 0.86 MMP2 (0.52) MMP8MMP2MMP9PYGLTP53
Hydrochloric Acid SCHEMBL5558404 0.79 PARP1 (0.44) MMP8MMP2MMP9MMP1FCER2
SCHEMBL6851850 0.79 FCER2 (0.61) MMP8MMP2MMP9PYGLMMP1
SCHEMBL15759462 0.78 PSMB5 (0.64) MMP8MMP2MMP1FCER2MMP3
SCHEMBL989841 0.78 PSMB5 (0.64) MMP8MMP2MMP1FCER2MMP3
SCHEMBL21274301 0.77 TP53 (0.57) TP53
SCHEMBL21274299 0.77 TP53 (0.57) TP53
SCHEMBL7066966 0.76 MMP1 (0.61) MMP8MMP2MMP9MMP1FCER2
SCHEMBL7066963 0.76 MMP1 (0.61) MMP8MMP2MMP9MMP1FCER2

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-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed