SCHEMBL6968812

SCHEMBL6968812

CC(C)(C)c1cc(CC(=O)Nc2cc(Cl)cc(Br)c2OC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ANO1 Q5XXA6 2/20 0.34
GSR P00390 1/20 0.34

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 0.86 GAA (0.43) KMT2AMEN1L3MBTL1GAACA12
SCHEMBL6969104 0.74 GAA (0.45) KMT2AMEN1GAAGSR
SCHEMBL6973924 0.73 KMT2A (0.47) KMT2AMEN1GAA
SCHEMBL5741936 0.69 GAA (0.55) KMT2AMEN1GAACA1CA2
SCHEMBL6858351 0.69 HSP90AB1 (0.59) VCAM1KMT2AMEN1GAACA1
SCHEMBL20599232 0.69 HSP90AB1 (0.51) VCAM1KMT2AMEN1GAACA1
SCHEMBL7733874 0.68 HDAC3 (0.49) KMT2AMEN1GAA
SCHEMBL14586752 0.67 GAA (0.57) KMT2AMEN1GAACA1CA2
SCHEMBL8340038 0.66 GAA (0.73) KMT2AMEN1GAACA1CA2
SCHEMBL11914171 0.65 NAMPT (0.51) KMT2AMEN1GAAANO1

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 9 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
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US 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