SCHEMBL7817432

SCHEMBL7817432

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.42
UCHL1 P09936 1/20 0.41
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
PTGER4 P35408 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
AKR1C3 P42330 9/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7816227 0.88 UCHL1 (0.42) DCTPP1UCHL1SLC5A1SLC5A2PTGER4
SCHEMBL7815550 0.86 SLC5A1 (0.47) DCTPP1UCHL1SLC5A1SLC5A2MAPT
SCHEMBL7825482 0.86 HPGD (0.44) DCTPP1UCHL1PTGER4MAPTHPGD
SCHEMBL7827030 0.85 UCHL1 (0.42) DCTPP1UCHL1SLC5A1SLC5A2PTGER4
SCHEMBL7827679 0.83 UCHL1 (0.40) DCTPP1UCHL1SLC5A1SLC5A2PTGER4
SCHEMBL5515660 0.83 UCHL1 (0.41) UCHL1SLC5A1SLC5A2PTGER4MAPT
SCHEMBL7827515 0.83 KMT2A (0.42) DCTPP1UCHL1PTGER4MAPTHPGD
SCHEMBL7823440 0.83 UCHL1 (0.41) DCTPP1UCHL1PTGER4MAPTHPGD
SCHEMBL7828209 0.81 DCTPP1 (0.43) DCTPP1UCHL1SLC5A1SLC5A2MAPT
SCHEMBL7826821 0.81 UCHL1 (0.40) DCTPP1UCHL1SLC5A1SLC5A2PTGER4

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