SCHEMBL6576233

SCHEMBL6576233

CC(C)c1cc(Cc2c(S(C)(=O)=O)oc3ccccc23)cc(C(C)C)c1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.55
THRA P10827 7/20 0.55
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PTPN1 P18031 2/20 0.41
LMNA P02545 1/20 0.41
GLRA1 P23415 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL6482781 0.85 THRB (0.74) THRBTHRAKDM4EALDH1A1POLB
SCHEMBL6573415 0.83 NQO1 (0.41) THRBTHRAALDH1A1LMNA
SCHEMBL6482824 0.72 THRA (0.72) THRBTHRAKDM4EALDH1A1POLB
SCHEMBL3212510 0.71 THRA (1.00) THRBTHRAKDM4EALDH1A1POLB
SCHEMBL29403217 0.71 THRA (1.00) THRBTHRAKDM4EALDH1A1POLB
SCHEMBL6338264 0.66 PTPN1 (0.68) THRBTHRAPTPN1
SCHEMBL9474040 0.65 KMT2A (0.55) THRBTHRAALDH1A1POLBLMNA
SCHEMBL6482244 0.65 THRA (0.51) THRBTHRAALDH1A1PTPN1LMNA
SCHEMBL8498111 0.64 FABP3 (0.52) THRBTHRAALDH1A1GLRA1PSEN1
SCHEMBL6574630 0.64 GABRA1 (0.51) THRBALDH1A1POLBPTPN1LMNA

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