SCHEMBL8073296

SCHEMBL8073296

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.44
SLC5A2 P31639 4/20 0.44
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP19A1 P11511 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
UCHL1 P09936 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL5515342 0.88 SLC5A1 (0.45) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL8071912 0.87 UCHL1 (0.40) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL7828627 0.86 SLC5A1 (0.44) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL7826971 0.84 HPGD (0.42) SLC5A1SLC5A2MAPTPOLBHSD17B10
SCHEMBL8069350 0.83 SLC5A1 (0.44) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL5516696 0.83 SLC5A1 (0.44) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL7827659 0.83 SLC5A1 (0.43) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL8067119 0.83 SLC5A1 (0.43) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL7831857 0.83 SLC5A1 (0.43) SLC5A1SLC5A2MAPTPOLBALDH1A1
SCHEMBL7826196 0.83 SLC5A1 (0.43) SLC5A1SLC5A2MAPTPOLBALDH1A1

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-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed