SCHEMBL7828209

SCHEMBL7828209

CCOC(=O)c1c(C(=O)c2c(C)cccc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.43
UCHL1 P09936 1/20 0.42
CYP19A1 P11511 4/20 0.41
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 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
SCHEMBL7827410 0.93 CYP19A1 (0.43) DCTPP1UCHL1CYP19A1SLC5A1SLC5A2
SCHEMBL7827167 0.90 DCTPP1 (0.45) DCTPP1ALOX15L3MBTL1SMN1; SMN2AKR1C3
SCHEMBL7815891 0.88 HPGD (0.47) DCTPP1UCHL1CYP19A1SLC5A1SLC5A2
SCHEMBL7828589 0.86 DCTPP1 (0.45) DCTPP1POLBMAPTALOX15L3MBTL1
SCHEMBL7822518 0.86 HPGD (0.50) UCHL1CYP19A1POLBRXFP1MAPT
SCHEMBL7830785 0.86 UCHL1 (0.46) UCHL1CYP19A1POLBRXFP1MAPT
SCHEMBL7824695 0.83 UCHL1 (0.44) DCTPP1UCHL1CYP19A1SLC5A1SLC5A2
SCHEMBL5513825 0.83 UCHL1 (0.45) UCHL1CYP19A1POLBRXFP1MAPT
SCHEMBL7822742 0.83 SMN1; SMN2 (0.43) UCHL1CYP19A1POLBRXFP1MAPT
SCHEMBL7816327 0.82 UCHL1 (0.44) UCHL1CYP19A1POLBRXFP1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed