SCHEMBL7824951

SCHEMBL7824951

COc1ccc(Cn2nnc(C(=O)O)c2C(=O)c2ccc(C(OC)OC)cc2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.42
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 10/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE8B O95263 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
AKR1C2 P52895 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7823358 0.93 PTGER4 (0.42) PTGER4ALOX15L3MBTL1AKR1C3POLB
SCHEMBL7828234 0.90 ALDH1A1 (0.40) PTGER4ALOX15L3MBTL1POLBMAPT
SCHEMBL7825463 0.87 ALOX15 (0.42) PTGER4ALOX15L3MBTL1AKR1C3POLB
SCHEMBL7816246 0.86 ALOX15 (0.46) PTGER4ALOX15L3MBTL1AKR1C3POLB
SCHEMBL7816440 0.86 UCHL1 (0.40) PTGER4ALOX15L3MBTL1AKR1C3POLB
SCHEMBL7830851 0.85 HPGD (0.50) PTGER4ALOX15L3MBTL1AKR1C3MAPT
SCHEMBL7826331 0.85 MAPT (0.43) PTGER4ALOX15L3MBTL1AKR1C3POLB
SCHEMBL7815565 0.85 ALOX15 (0.40) PTGER4ALOX15L3MBTL1AKR1C3POLB
SCHEMBL7816893 0.85 POLB (0.44) PTGER4ALOX15L3MBTL1AKR1C3POLB
SCHEMBL7829292 0.84 ALOX15 (0.42) PTGER4ALOX15L3MBTL1AKR1C3POLB

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