SCHEMBL9826817

SCHEMBL9826817

Nc1ccc(CCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
MAOA P21397 4/20 0.58
SLC2A1 P11166 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP19A1 P11511 2/20 0.54
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3272392 0.87 SLC2A1 (0.54) SLC2A1SMN1; SMN2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5628566 0.85 SLC2A1 (0.52) MAOBSLC2A1SMN1; SMN2MEN1KMT2A
SCHEMBL5659691 0.84 MAOB (0.58) MAOBMAOASLC2A1GAAMAPT
Hydrochloric Acid SCHEMBL11596441 0.83 GAA (0.56) MAOBMAOASLC2A1GAAMAPT
SCHEMBL29194060 0.80 MAOB (0.61) MAOBMAOAGAAMAPTRAB9A
SCHEMBL22997885 0.80 MEN1 (0.57) GAAMAPTSMN1; SMN2HTR1AMEN1
SCHEMBL9828064 0.80 SLC2A1 (0.54) SLC2A1MAPTSMN1; SMN2HTR1ADRD2
SCHEMBL7977582 0.80 MEN1 (0.57) GAAMAPTSMN1; SMN2HTR1AMEN1
Toluene SCHEMBL29239493 0.80 TAAR1 (0.51) SLC2A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7338652 0.80 SLC2A1 (0.54) SLC2A1MEN1KMT2AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed