SCHEMBL6183872

SCHEMBL6183872

Cc1ccccc1C(C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.64
EPAS1 Q99814 4/20 0.64
NPC1 O15118 8/20 0.63
RAB9A P51151 7/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
MITF O75030 2/20 0.63
PAX8 Q06710 2/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
KLF5 Q13887 1/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL2957003 0.85 HIF1A (0.72) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL6183875 0.81 HIF1A (0.64) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL2956553 0.81 HIF1A (0.93) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL2950780 0.81 HIF1A (0.77) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL2959456 0.81 HIF1A (0.76) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL59705 0.81 NPC1 (0.66) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL28115910 0.80 NPC1 (0.65) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL2959279 0.80 HIF1A (0.82) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL6183882 0.79 HIF1A (0.64) HIF1AEPAS1NPC1RAB9ASMN1; SMN2
SCHEMBL2947496 0.79 MEN1 (0.79) HIF1AEPAS1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP claimed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 WO claimed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP disclosed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed