SCHEMBL7720995

SCHEMBL7720995

O=C(OOC(=O)c1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SNCA P37840 3/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
MAOB P27338 4/20 0.42
BCHE P06276 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAOA P21397 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NR2F2 P24468 1/20 0.40
ADAM17 P78536 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
CYP19A1 P11511 2/20 0.40
HSPD1 P10809 1/20 0.39
HSPE1 P61604 1/20 0.39
HPSE Q9Y251 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL7651789 0.84 SNCA (0.44) CRHBPCRHR2SNCAPTGS2PTGS1
SCHEMBL7717263 0.81 SNCA (0.53) SNCAPTGS2PTGS1MAOBBCHE
SCHEMBL7717261 0.81 SNCA (0.53) SNCAPTGS2PTGS1MAOBBCHE
SCHEMBL7655066 0.78 SNCA (0.58) SNCAPTGS2PTGS1MAOBBCHE
SCHEMBL7655057 0.78 SNCA (0.58) SNCAPTGS2PTGS1MAOBBCHE
SCHEMBL3152071 0.76 ALDH1A1 (0.53) CES2
SCHEMBL7720997 0.76 PTGS2 (0.46) SNCAPTGS2PTGS1MAOBBCHE
SCHEMBL7720996 0.76 PTGS2 (0.46) SNCAPTGS2PTGS1MAOBBCHE
SCHEMBL11301789 0.76 MAPK1 (0.60) CES2
SCHEMBL30435123 0.76 MAPK1 (0.60) CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed