SCHEMBL4457669

SCHEMBL4457669

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.49
MMP3 P08254 2/20 0.49
MMP2 P08253 2/20 0.45
FCER2 P06734 1/20 0.44
LMNA P02545 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CTSL P07711 2/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4457674 0.81 MMP1 (0.52) MMP1MMP3MMP2FCER2LMNA
SCHEMBL3477645 0.78 CTSS (0.58) MMP1MMP3MMP2MMP9MMP8
SCHEMBL6807421 0.74 NPC1 (0.62) MMP1MMP3FCER2CTSLPTPN1
SCHEMBL6807425 0.74 NPC1 (0.62) MMP1MMP3FCER2CTSLPTPN1
SCHEMBL6808320 0.74 PPARG (0.57) MMP1MMP3FCER2CTSL
SCHEMBL6808317 0.74 PPARG (0.57) MMP1MMP3FCER2CTSL
SCHEMBL6828028 0.74 MEN1 (0.70) MMP1MMP3FCER2LMNAMMP9
SCHEMBL6828040 0.74 MEN1 (0.70) MMP1MMP3FCER2LMNAMMP9
SCHEMBL6801630 0.73 CTSL (0.66) CTSL
SCHEMBL6801635 0.73 CTSL (0.66) CTSL

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