SCHEMBL16097448

SCHEMBL16097448

NCCCCC(Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP9 P14780 1/20 0.41
MAPT P10636 3/20 0.39
FOLH1 Q04609 1/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDF Q9HBH1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GPR35 Q9HC97 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL16097454 1.00 MMP2 (0.41) MMP2MMP9MAPTFOLH1MAPK1
SCHEMBL29625792 0.89 GAA (0.48) MMP2MMP9MAPTFOLH1ALDH1A1
SCHEMBL8358480 0.86 MAPT (0.45) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL7543508 0.86 MMP2 (0.47) MMP2MMP9MAPTFOLH1PDF
SCHEMBL14255184 0.86 MAPT (0.47) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL7543514 0.86 MMP2 (0.47) MMP2MMP9MAPTFOLH1PDF
SCHEMBL295430 0.84 CRHBP (0.48) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL712247 0.84 CRHBP (0.48) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL29395468 0.84 CRHBP (0.48) MAPTMAPK1TDP1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL19970925 0.83 CRHBP (0.47) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312518-A1 HYDROGELS THE UNIVERSITY OF LIVERPOOL (GB) 2025-10-09 US disclosed
EP-2976112-B1 IMPROVEMENTS IN AND RELATING TO COLLAGEN BASED MATERIALS UNIV LEEDS INNOVATIONS LTD (GB) 2022-02-16 EP disclosed
US-20160051727-A1 IMPROVEMENTS IN AND RELATING TO COLLAGEN BASED MATERIALS UNIVERSITY OF LEEDS (GB) 2016-02-25 US disclosed
EP-2976112-A1 IMPROVEMENTS IN AND RELATING TO COLLAGEN BASED MATERIALS University of Leeds (GB) 2016-01-27 EP disclosed
WO-2014147415-A1 IMPROVEMENTS IN AND RELATING TO COLLAGEN BASED MATERIALS UNIVERSITY OF LEEDS (GB) 2014-09-25 WO disclosed