SCHEMBL7219338

SCHEMBL7219338

O=[N+]([O-])C1(Cc2ccccc2)C=CC=CC1OC1C=CC=CC1(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
HSD11B1 P28845 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3476384 0.81 HSD11B1 (0.33) MAPTALDH1A1CYP3A4HSD11B1KDM4E
SCHEMBL4954512 0.69 HSD11B1 (0.36) HSD11B1
SCHEMBL7330891 0.68 KCNJ1 (0.37) MAPTMEN1KMT2A
SCHEMBL10875879 0.67 HSD11B1 (0.39) MEN1KMT2AALDH1A1CYP3A4HSD11B1
SCHEMBL7565613 0.66
SCHEMBL28381016 0.65 CPA1 (0.33) MAPTALDH1A1HSD11B1SMN1; SMN2KDM4E
SCHEMBL4367842 0.64 PDE1C (0.34) MEN1KMT2ATSHR
SCHEMBL7323975 0.63 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL23748559 0.63 NPC1 (0.33) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL20746417 0.62 FBP1 (0.36) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596734-B1 Method for stimulating, regulating and modulating metabolism of fats in adipose tissue in mammals, comprising administering to a mammal an effective amount of a beta 3- adrenoreceptor agonist MOLECULAR DESIGN INTERNATIONAL, INC. 2003-07-22 US disclosed