SCHEMBL7815565

SCHEMBL7815565

COCOc1ccc(C(=O)c2c(C(=O)O)nnn2Cc2ccc(OC)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 8/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGER4 P35408 1/20 0.37
PDE8B O95263 1/20 0.37

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
SCHEMBL7816215 0.94 ALOX15 (0.39) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7829356 0.93 ALOX15 (0.40) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7831799 0.90 POLB (0.40) ALOX15L3MBTL1MAPTPOLBRXFP1
SCHEMBL7825463 0.88 ALOX15 (0.42) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7827810 0.87 ALOX15 (0.39) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7827499 0.86 ALOX15 (0.46) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7817289 0.86 UCHL1 (0.41) ALOX15L3MBTL1MAPTPOLBRXFP1
SCHEMBL7830851 0.86 HPGD (0.50) ALOX15L3MBTL1AKR1C3MAPTKDM4E
SCHEMBL7825040 0.86 SMN1; SMN2 (0.41) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7826331 0.86 MAPT (0.43) ALOX15L3MBTL1AKR1C3MAPTPOLB

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