SCHEMBL4457674

SCHEMBL4457674

CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.52
MMP3 P08254 2/20 0.52
GRIA1 P42261 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
CHRND Q07001 5/20 0.44
FCER2 P06734 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 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
SCHEMBL6803202 0.91 MEN1 (0.55) MMP1MMP3MMP2MMP9FCER2
SCHEMBL6803737 0.91 MEN1 (0.55) MMP1MMP3MMP2MMP9FCER2
SCHEMBL6803191 0.91 MEN1 (0.55) MMP1MMP3MMP2MMP9FCER2
SCHEMBL4457669 0.81 MMP1 (0.49) MMP1MMP3MMP2MMP9MMP8
SCHEMBL6828028 0.79 MEN1 (0.70) MMP1MMP3MMP9MMP8FCER2
SCHEMBL6828040 0.79 MEN1 (0.70) MMP1MMP3MMP9MMP8FCER2
SCHEMBL6911348 0.79 L3MBTL1 (0.45) MMP1MMP3MMP2MMP9MMP8
SCHEMBL6911343 0.79 L3MBTL1 (0.45) MMP1MMP3MMP2MMP9MMP8
SCHEMBL3477645 0.78 CTSS (0.58) MMP1MMP3MMP2MMP9MMP8
SCHEMBL23835704 0.78 MMP1 (0.52) MMP1MMP3GRIA1MMP2MMP9

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
US-7507568-B2 Three dimensional coordinates of HPTPbeta THE PROCTOR & GAMBLE COMPANY (US) 2009-03-24 US disclosed
US-20040077065-A1 Three dimensional coordinates of HPTPbeta THE PROCTER & GAMBLE COMPANY 2004-04-22 US disclosed