SCHEMBL6574630

SCHEMBL6574630

CC(C)c1cc(C(=O)c2c(S(C)(=O)=O)oc3ccccc23)cc(C(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
EYA3 Q99504 10/20 0.48
CYP2C19 P33261 6/20 0.47
CYP2C9 P11712 5/20 0.44
TTR P02766 3/20 0.44
MEN1 O00255 2/20 0.44
ABCB11 O95342 2/20 0.44
LMNA P02545 2/20 0.44
PGR P06401 2/20 0.44
ADRA2A P08913 2/20 0.44
TBXA2R P21731 2/20 0.44
OPRM1 P35372 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KMT2A Q03164 2/20 0.44
BIRC5 O15392 1/20 0.44
HTR1A P08908 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL6490125 0.82 EYA3 (0.69) GABRA1GABRB1EYA3CYP2C19CYP2C9
SCHEMBL6737999 0.79 EYA3 (0.71) GABRA1GABRB1EYA3CYP2C19CYP2C9
SCHEMBL6573415 0.77 NQO1 (0.41) GABRA1GABRB1CYP2C19CYP2C9MEN1
SCHEMBL6480569 0.69 CYP2C19 (0.61) EYA3CYP2C19CYP2C9POLBTHRB
SCHEMBL29405385 0.69 GABRA1 (1.00) GABRA1GABRB1LMNAKMT2APTGS1
SCHEMBL2414208 0.69 GABRA1 (0.64) GABRA1GABRB1LMNABCL2MCL1
SCHEMBL15698033 0.68 EYA3 (0.83) EYA3CYP2C19CYP2C9TTRMEN1
SCHEMBL28078271 0.68 GABRA1 (0.78) GABRA1GABRB1LMNAPTGS1SLC6A2
SCHEMBL8082189 0.67 GABRA1 (0.60) GABRA1GABRB1CYP2C19LMNACYP1A2
SCHEMBL11326985 0.66 GABRA1 (0.68) GABRA1GABRB1CYP2C19MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408958-A1 BENZOFURANES AND THEIR USE IN THE TREATMENT OF ATRIAL FIBRILLATION KARO BIO AB (SE) 2004-04-21 EP disclosed
WO-2003009839-A1 BENZOFURANES AND THEIR USE IN THE TREATMENT OF ATRIAL FIBRILLATION KARO BIO AB (SE) 2003-02-06 WO disclosed