SCHEMBL6654887

SCHEMBL6654887

Nc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.77
SMN1; SMN2 Q16637 3/20 0.74
MAPT P10636 3/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
MAOB P27338 2/20 0.74
GAA P10253 2/20 0.74
RAB9A P51151 2/20 0.74
MAOA P21397 1/20 0.74
PARP10 Q53GL7 2/20 0.69
NR4A1 P22736 1/20 0.68
NR4A2 P43354 1/20 0.68
NR4A3 Q92570 1/20 0.68
ALDH1A1 P00352 3/20 0.66
HTT P42858 2/20 0.66
PLA2G4B P0C869 1/20 0.59
PPARG P37231 2/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL3232949 0.92 SRD5A2 (0.90) SRD5A2SMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL402300 0.90 SRD5A2 (0.87) SRD5A2SMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL28527489 0.87 SRD5A2 (0.59) SRD5A2SMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL3415530 0.87 SRD5A2 (0.81) SRD5A2SMN1; SMN2MAPTL3MBTL1MAOB
4-Benzyloxyaniline SCHEMBL171449 0.86 MAOB (1.00) SMN1; SMN2MAPTL3MBTL1MAOBGAA
4-Benzyloxyaniline SCHEMBL5376217 0.84 MAOB (0.96) SMN1; SMN2MAPTL3MBTL1MAOBGAA
4-Benzyloxyaniline SCHEMBL371743 0.84 MAOB (0.96) SMN1; SMN2MAPTL3MBTL1MAOBGAA
SCHEMBL10784972 0.84 SRD5A2 (0.77) SRD5A2SMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL8067849 0.84 SRD5A2 (0.77) SRD5A2SMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL8503299 0.84 SRD5A2 (0.77) SRD5A2SMN1; SMN2MAPTL3MBTL1MAOB

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-0966424-B1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMA AS (DK) 2004-06-23 EP disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 US disclosed
EP-0966424-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1999-12-29 EP disclosed
WO-1998032730-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-07-30 WO disclosed