SCHEMBL7816893

SCHEMBL7816893

COc1ccc(Cn2nnc(C(=O)O)c2C(=O)c2ccc(C(OC)OC)cc2NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
PTGER4 P35408 2/20 0.44
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 10/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
RECQL P46063 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AKR1C2 P52895 1/20 0.38

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
SCHEMBL7816246 0.87 ALOX15 (0.46) POLBMAPTPTGER4ALOX15L3MBTL1
SCHEMBL7824951 0.85 PTGER4 (0.42) POLBMAPTPTGER4ALOX15L3MBTL1
SCHEMBL7826316 0.80 ALOX15 (0.46) POLBMAPTPTGER4ALOX15L3MBTL1
SCHEMBL7823358 0.78 PTGER4 (0.42) POLBMAPTPTGER4ALOX15L3MBTL1
SCHEMBL7824859 0.76 ALOX15 (0.48) POLBMAPTALOX15L3MBTL1AKR1C3
SCHEMBL7824116 0.76 ALOX15 (0.48) POLBMAPTALOX15L3MBTL1AKR1C3
SCHEMBL7828234 0.75 ALDH1A1 (0.40) POLBMAPTPTGER4ALOX15L3MBTL1
SCHEMBL7823930 0.75 ALOX15 (0.48) POLBMAPTPTGER4ALOX15L3MBTL1
SCHEMBL7823949 0.74 ALOX15 (0.49) POLBMAPTPTGER4ALOX15L3MBTL1
SCHEMBL7827714 0.74 ALOX15 (0.51) POLBMAPTPTGER4ALOX15L3MBTL1

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