SCHEMBL7651789

SCHEMBL7651789

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.44
MAOB P27338 7/20 0.43
BCHE P06276 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAOA P21397 4/20 0.41
HSP90AA1 P07900 1/20 0.41
NR2F2 P24468 1/20 0.41
ADAM17 P78536 1/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
CYP19A1 P11511 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CDC25B P30305 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
SCHEMBL7720995 0.84 CRHBP (0.43) SNCAMAOBBCHECYP1B1MAOA
SCHEMBL30435123 0.77 MAPK1 (0.60) POLB
SCHEMBL11301789 0.77 MAPK1 (0.60) POLB
SCHEMBL7651794 0.76 CYP19A1 (0.45) SNCAMAOBBCHECYP1B1MAOA
SCHEMBL7655049 0.73 BCHE (0.50) SNCAMAOBBCHECYP1B1HSP90AA1
SCHEMBL2774588 0.71 CYP19A1 (0.60) SNCAMAOBBCHECYP1B1PTGS2
SCHEMBL2774584 0.71 CYP19A1 (0.60) SNCAMAOBBCHECYP1B1PTGS2
SCHEMBL5141205 0.71 CES2 (0.45) HSP90AA1MEN1POLBMAPTKMT2A
SCHEMBL10341585 0.70 CES2 (0.60) HSP90AA1MEN1POLBMAPTKMT2A
SCHEMBL8976660 0.70 ALDH1A1 (0.53) MAPT

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 1 patent. 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