SCHEMBL8073468

SCHEMBL8073468

CCOC(=O)c1c(C(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
UCHL1 P09936 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
CYP19A1 P11511 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
ATM Q13315 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
SCHEMBL8066750 0.93 PKM (0.42) PKMUCHL1KDM4EHSD17B10HPGD
SCHEMBL8066995 0.88 HSD17B10 (0.47) UCHL1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL5513825 0.88 UCHL1 (0.45) UCHL1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL7824695 0.86 UCHL1 (0.44) UCHL1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL7822518 0.84 HPGD (0.50) UCHL1KDM4EHPGDALDH1A1MAPT
SCHEMBL7830785 0.84 UCHL1 (0.46) UCHL1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL8073814 0.83 UCHL1 (0.41) UCHL1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL5512013 0.83 UCHL1 (0.41) UCHL1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL7822742 0.83 SMN1; SMN2 (0.43) UCHL1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL8068094 0.83 UCHL1 (0.42) UCHL1KDM4EHSD17B10HPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed