SCHEMBL7655066

SCHEMBL7655066

O=C(OOC(=O)c1ccccc1C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.58
MAOB P27338 2/20 0.54
BCHE P06276 1/20 0.54
CYP1B1 Q16678 1/20 0.48
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HSP90AA1 P07900 1/20 0.45
NR2F2 P24468 1/20 0.45
ADAM17 P78536 1/20 0.45
ALOX5 P09917 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CYP19A1 P11511 1/20 0.43
F2 P00734 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 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
SCHEMBL7655057 1.00 SNCA (0.58) SNCAMAOBBCHECYP1B1PTGS2
SCHEMBL7717263 0.90 SNCA (0.53) SNCAMAOBBCHECYP1B1PTGS2
SCHEMBL7717261 0.90 SNCA (0.53) SNCAMAOBBCHECYP1B1PTGS2
SCHEMBL7649969 0.87 SNCA (0.60) SNCAMAOBHSP90AA1LMNAALDH1A1
SCHEMBL7649962 0.87 SNCA (0.60) SNCAMAOBHSP90AA1LMNAALDH1A1
SCHEMBL7655923 0.85 LMNA (0.55) SNCAMAOBBCHECYP1B1LMNA
SCHEMBL7655913 0.85 LMNA (0.55) SNCAMAOBBCHECYP1B1LMNA
SCHEMBL10496508 0.83 SNCA (0.60) SNCAMAOBBCHECYP1B1PTGS2
SCHEMBL9797743 0.83 SNCA (0.60) SNCAMAOBBCHECYP1B1PTGS2
SCHEMBL27499697 0.79 CES1 (0.70) MAOBBCHECYP1B1CES2CES1

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-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