SCHEMBL7652799

SCHEMBL7652799

COc1ccc(C(=O)OOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.62
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL7652666 0.89 MAOA (0.61) MAPTSMN1; SMN2MAPK1GAAHTT
SCHEMBL7648958 0.83 CYP3A4 (0.61) ALOX5SMN1; SMN2GAANPC1KMT2A
SCHEMBL728795 0.81 MAPK1 (0.62) ALOX5MAPTSMN1; SMN2MAPK1GAA
SCHEMBL296613 0.80 CA1 (0.75) MAPTMAPK1NPSR1RAB9AKMT2A
SCHEMBL5345292 0.78 KMT2A (0.72) MAPTSMN1; SMN2MAPK1GAAHTT
SCHEMBL12350151 0.78 CES2 (0.71) ALOX5MAPTSMN1; SMN2MAPK1GAA
SCHEMBL13384984 0.77 ALOX5 (0.84) ALOX5MAPTSMN1; SMN2GAAALDH1A1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.77 SMN1; SMN2 (0.60) ALOX5MAPTSMN1; SMN2GAAHTT
SCHEMBL419102 0.76 ALOX5 (0.55) ALOX5MAPTSMN1; SMN2MAPK1GAA
SCHEMBL1436249 0.76 CES1 (0.65) MAPK1GAAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
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