SCHEMBL7816227

SCHEMBL7816227

CCOC(=O)c1c(C(O)c2ccccc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
PTGER4 P35408 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.41
DCTPP1 Q9H773 1/20 0.41
ALDH1A1 P00352 5/20 0.40
AKR1C3 P42330 4/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7823440 0.90 UCHL1 (0.41) UCHL1PTGER4MAPTHPGDDCTPP1
SCHEMBL7827515 0.90 KMT2A (0.42) UCHL1PTGER4MAPTHPGDDCTPP1
SCHEMBL7827030 0.89 UCHL1 (0.42) UCHL1SLC5A1SLC5A2PTGER4MAPT
SCHEMBL7817432 0.88 DCTPP1 (0.42) UCHL1SLC5A1SLC5A2PTGER4MAPT
SCHEMBL5515660 0.88 UCHL1 (0.41) UCHL1SLC5A1SLC5A2PTGER4MAPT
SCHEMBL7825482 0.88 HPGD (0.44) UCHL1PTGER4MAPTHPGDDCTPP1
SCHEMBL7824948 0.88 MAOB (0.43) UCHL1PTGER4MAPTHPGDALDH1A1
SCHEMBL7826821 0.88 UCHL1 (0.40) UCHL1SLC5A1SLC5A2PTGER4MAPT
SCHEMBL7817162 0.87 UCHL1 (0.39) UCHL1PTGER4MAPTHPGDALDH1A1
SCHEMBL7827496 0.87 MAPT (0.39) UCHL1PTGER4MAPTHPGDALDH1A1

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