SCHEMBL7649969

SCHEMBL7649969

O=C(OOC(=O)c1ccccc1C=Cc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.60
▸ MAPT P10636 5/20 0.57
▸ MAOB P27338 1/20 0.57
▸ NFE2L2 Q16236 3/20 0.57
▸ CYP19A1 P11511 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ VCP P55072 1/20 0.46
▸ TGM2 P21980 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7649962 1.00 SNCA (0.60) SNCAMAPTMAOBNFE2L2CYP19A1
SCHEMBL7655057 0.87 SNCA (0.58) SNCAMAPTMAOBCYP19A1HSP90AA1
SCHEMBL7655066 0.87 SNCA (0.58) SNCAMAPTMAOBCYP19A1HSP90AA1
SCHEMBL13890859 0.84 SNCA (0.58) SNCAMAPTMAOBNFE2L2CYP19A1
SCHEMBL9798094 0.84 NFE2L2 (0.68) SNCAMAPTMAOBNFE2L2CYP19A1
SCHEMBL13877019 0.84 NFE2L2 (0.68) SNCAMAPTMAOBNFE2L2CYP19A1
SCHEMBL10496489 0.84 NFE2L2 (0.68) SNCAMAPTMAOBNFE2L2CYP19A1
SCHEMBL7717261 0.82 SNCA (0.53) SNCAMAPTMAOBNFE2L2CYP19A1
SCHEMBL7717263 0.82 SNCA (0.53) SNCAMAPTMAOBNFE2L2CYP19A1
SCHEMBL7655913 0.82 LMNA (0.55) SNCAMAPTMAOBNFE2L2RAB9A

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
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