SCHEMBL7826331

SCHEMBL7826331

COC(=O)c1ccc(C(=O)c2c(C(=O)O)nnn2Cc2ccc(OC)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
PTGER4 P35408 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAF1 P04049 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 6/20 0.41
POLB P06746 1/20 0.41
ERCC5 P28715 1/20 0.40

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
SCHEMBL7826324 0.93 MAPT (0.43) MAPTLMNAPTGER4ALDH1A1RAF1
SCHEMBL7825463 0.88 ALOX15 (0.42) MAPTPTGER4ALDH1A1HPGDMAPK1
SCHEMBL7823930 0.86 ALOX15 (0.48) MAPTPTGER4ALDH1A1HPGDALOX15
SCHEMBL8927793 0.86 HPGD (0.40) MAPTLMNAPTGER4ALDH1A1RAF1
SCHEMBL7830851 0.86 HPGD (0.50) MAPTLMNAPTGER4ALDH1A1HPGD
SCHEMBL7815565 0.86 ALOX15 (0.40) MAPTPTGER4ALDH1A1HPGDALOX15
SCHEMBL5514056 0.85 LMNA (0.46) MAPTLMNAALDH1A1HPGDALOX15
SCHEMBL7829292 0.85 ALOX15 (0.42) MAPTPTGER4ALDH1A1HPGDMAPK1
SCHEMBL7824951 0.85 PTGER4 (0.42) MAPTPTGER4ALDH1A1ALOX15L3MBTL1
SCHEMBL7830535 0.84 ALOX15 (0.41) MAPTALDH1A1HPGDMAPK1ALOX15

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