SCHEMBL6969104

SCHEMBL6969104

CC(C)(C)c1cc(CC(=O)Nc2cc(Br)cc(Br)c2O)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 4/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
HIF1A Q16665 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.39
GSR P00390 2/20 0.38
GMNN O75496 1/20 0.38
GABBR2 O75899 1/20 0.38

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
SCHEMBL6960412 0.87 GAA (0.43) GAAKMT2AALDH1A1TDP1MEN1
SCHEMBL6973924 0.83 KMT2A (0.47) GAAKMT2AALDH1A1TDP1MEN1
SCHEMBL7735678 0.78 GABRA1 (0.47) GAAKMT2AMEN1GSRSELL
SCHEMBL5741936 0.78 GAA (0.55) GAAKMT2AALDH1A1TDP1MEN1
SCHEMBL7733874 0.77 HDAC3 (0.49) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL14586752 0.76 GAA (0.57) GAAKMT2AALDH1A1TDP1MEN1
SCHEMBL8340038 0.75 GAA (0.73) GAAKMT2AALDH1A1TDP1MEN1
SCHEMBL6968812 0.74 VCAM1 (0.38) GAAKMT2AMEN1GSR
SCHEMBL11914171 0.73 NAMPT (0.51) GAAKMT2AALDH1A1TDP1MEN1
SCHEMBL785309 0.72 NLRP3 (0.58) GAAKMT2AALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-B1 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 2003-08-27 EP disclosed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
US-6365606-B1 TREATMENT OF DISEASES WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF CYTOKINES; SIDE EFFECT REDUCTION; ISOINDOLES; BRONCHODILATOR; ANTI-INFLAMMATORY AGENT EURO-CELTIQUE, S.A. (LU) 2002-04-02 US disclosed
EP-1160247-A1 6,5-Fused aromatic ring systems having enhanced phosphodiesterae IV inhibitory activity Euro-Celtique S.A. (LU) 2001-12-05 EP disclosed
US-6075016-A 6,5-fused aromatic ring systems having enhanced phosphodiesterase IV inhibitory activity EURO-CELTIQUE S.A. (LU) 2000-06-13 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed