SCHEMBL8071738

SCHEMBL8071738

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1cc(OC(C)C)c(OC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
SLC5A1 P13866 4/20 0.41
SLC5A2 P31639 4/20 0.41
UCHL1 P09936 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
KCNMA1 Q12791 1/20 0.39
CYP19A1 P11511 2/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL5508781 0.98 SLC5A1 (0.41) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL8073571 0.98 SLC5A1 (0.41) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL8068094 0.93 UCHL1 (0.42) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL5511589 0.92 MAPT (0.44) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL8073814 0.92 UCHL1 (0.41) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL5512013 0.92 UCHL1 (0.41) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL7817398 0.89 MAPT (0.43) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL7831313 0.88 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2MITFSLC5A1SLC5A2
SCHEMBL7823456 0.86 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MITFUCHL1PDE4A
SCHEMBL8066802 0.86 POLB (0.46) ALDH1A1SMN1; SMN2SLC5A1SLC5A2MAPT

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