SCHEMBL7816440

SCHEMBL7816440

CCOC(=O)c1c(C(=O)c2ccc(C(OC)OC)cc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
PTGER4 P35408 1/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MITF O75030 1/20 0.38
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP19A1 P11511 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC5A1 P13866 2/20 0.37
SLC5A2 P31639 2/20 0.37
LMNA P02545 1/20 0.36
KCNMA1 Q12791 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
SCHEMBL7828234 0.93 ALDH1A1 (0.40) UCHL1PTGER4POLBRXFP1SMN1; SMN2
SCHEMBL7823358 0.90 PTGER4 (0.42) PTGER4POLBRXFP1ALDH1A1MAPT
SCHEMBL7822742 0.89 SMN1; SMN2 (0.43) UCHL1POLBRXFP1SMN1; SMN2ALDH1A1
SCHEMBL7824951 0.86 PTGER4 (0.42) PTGER4POLBRXFP1ALDH1A1MAPT
SCHEMBL7830785 0.86 UCHL1 (0.46) UCHL1POLBRXFP1SMN1; SMN2ALDH1A1
SCHEMBL7815891 0.86 HPGD (0.47) UCHL1POLBRXFP1SMN1; SMN2ALDH1A1
SCHEMBL7817289 0.86 UCHL1 (0.41) UCHL1POLBRXFP1SMN1; SMN2ALDH1A1
SCHEMBL7817355 0.86 UCHL1 (0.41) UCHL1POLBRXFP1SMN1; SMN2ALDH1A1
SCHEMBL5513825 0.85 UCHL1 (0.45) UCHL1POLBRXFP1SMN1; SMN2ALDH1A1
SCHEMBL7816327 0.85 UCHL1 (0.44) UCHL1POLBRXFP1SMN1; SMN2ALDH1A1

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