SCHEMBL7720997

SCHEMBL7720997

O=C(OOC(=O)c1cccc(C(=O)c2ccc([N+](=O)[O-])cc2)c1C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)c2ccc([N+](=O)[O-])cc2)c1C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CYP19A1 P11511 1/20 0.46
MAOB P27338 7/20 0.45
BCHE P06276 1/20 0.45
CYP1B1 Q16678 1/20 0.45
MAPK1 P28482 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SNCA P37840 2/20 0.44
MAOA P21397 4/20 0.43
HSP90AA1 P07900 1/20 0.43
NR2F2 P24468 1/20 0.43
ADAM17 P78536 1/20 0.43
POLB P06746 1/20 0.43
SRD5A2 P31213 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7720996 1.00 PTGS2 (0.46) PTGS2PTGS1CYP19A1MAOBBCHE
SCHEMBL8386280 0.91 MEN1 (0.44) PTGS2PTGS1CYP19A1MAOBBCHE
SCHEMBL8386279 0.88 MEN1 (0.42) MAOBBCHECYP1B1MAPK1MEN1
SCHEMBL7651794 0.81 CYP19A1 (0.45) PTGS2PTGS1CYP19A1MAOBBCHE
SCHEMBL10886893 0.80 AKR1C3 (0.43) MAOBBCHECYP1B1MAPTKMT2A
SCHEMBL10886887 0.80 AKR1C3 (0.43) MAOBBCHECYP1B1MAPTKMT2A
SCHEMBL7720995 0.76 CRHBP (0.43) PTGS2PTGS1CYP19A1MAOBBCHE
SCHEMBL7655057 0.75 SNCA (0.58) PTGS2PTGS1CYP19A1MAOBBCHE
SCHEMBL7655066 0.75 SNCA (0.58) PTGS2PTGS1CYP19A1MAOBBCHE
SCHEMBL12973292 0.71 POLB (0.68) PTGS2PTGS1CYP19A1MAOBMAPK1

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