SCHEMBL7735678

SCHEMBL7735678

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
THRA P10827 9/20 0.41
THRB P10828 9/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GSR P00390 1/20 0.39
PKM P14618 1/20 0.38
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37

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
SCHEMBL6962364 0.83 MEN1 (0.50) THRATHRBGAAMEN1KMT2A
SCHEMBL6969104 0.78 GAA (0.45) GAAMEN1KMT2AGSRSELL
SCHEMBL7735144 0.72 NLRP3 (0.48) GABRA1GABRB1GAAMEN1KMT2A
SCHEMBL11594811 0.71 TDP1 (0.48) GABRA1GABRB1GAAMEN1KMT2A
SCHEMBL4644161 0.70 GABRA1 (0.78) GABRA1GABRB1THRATHRBGAA
SCHEMBL17338050 0.70 CYP3A4 (0.39) GABRA1GABRB1MEN1KMT2A
SCHEMBL4323317 0.69 GSR (0.53) GABRA1GABRB1THRATHRBGAA
SCHEMBL5598871 0.68 HSP90AB1 (0.59) GABRA1GABRB1GAAMEN1KMT2A
SCHEMBL3640323 0.68 GABRA1 (1.00) GABRA1GABRB1THRATHRBGAA
SCHEMBL8747646 0.68 GSR (0.52) GABRA1GABRB1GAAGSR

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
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
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