SCHEMBL7827679

SCHEMBL7827679

CCOC(=O)c1c(C(O)c2cc(OC)c(C)cc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
ALDH1A1 P00352 6/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RECQL P46063 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
LMNA P02545 1/20 0.37
PTBP1 P26599 1/20 0.37
DCTPP1 Q9H773 2/20 0.37
HPGD P15428 3/20 0.37
PTGER4 P35408 1/20 0.36
KMT2A Q03164 2/20 0.36
PDE8B O95263 1/20 0.36
HTT P42858 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
SCHEMBL5515660 0.95 UCHL1 (0.41) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL7827030 0.94 UCHL1 (0.42) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL8073495 0.93 UCHL1 (0.38) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL8067099 0.91 UCHL1 (0.38) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL5509234 0.91 UCHL1 (0.38) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL8071411 0.90 UCHL1 (0.39) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL7823440 0.88 UCHL1 (0.41) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL7827515 0.88 KMT2A (0.42) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL8069034 0.87 MEN1 (0.47) UCHL1ALDH1A1POLBMAPTRXFP1
SCHEMBL7828627 0.87 SLC5A1 (0.44) ALDH1A1POLBMAPTRXFP1KDM4E

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