SCHEMBL7824948

SCHEMBL7824948

CCOC(=O)c1c(C(O)c2cc(OCc3ccc(OC)cc3)ccc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
UCHL1 P09936 1/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGER4 P35408 1/20 0.36
SLC2A1 P11166 1/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 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
SCHEMBL7817162 0.93 UCHL1 (0.39) MAOBUCHL1POLBRXFP1MAPT
SCHEMBL7823440 0.91 UCHL1 (0.41) UCHL1POLBRXFP1MAPTMEN1
SCHEMBL7827030 0.88 UCHL1 (0.42) UCHL1POLBRXFP1MAPTMEN1
SCHEMBL5515660 0.88 UCHL1 (0.41) UCHL1POLBRXFP1MAPTMEN1
SCHEMBL7816227 0.88 UCHL1 (0.42) UCHL1POLBRXFP1MAPTALDH1A1
SCHEMBL7823176 0.87 MAOB (0.41) MAOBPOLBRXFP1MAPTMEN1
SCHEMBL7827496 0.86 MAPT (0.39) MAOBUCHL1POLBRXFP1MAPT
SCHEMBL7827679 0.86 UCHL1 (0.40) UCHL1POLBRXFP1MAPTKMT2A
SCHEMBL7827515 0.86 KMT2A (0.42) UCHL1POLBRXFP1MAPTMEN1
SCHEMBL8069034 0.85 MEN1 (0.47) UCHL1POLBRXFP1MAPTMEN1

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