SCHEMBL6573415

SCHEMBL6573415

CC(C)c1cc(Cc2c(S(C)(=O)=O)oc3ccccc23)cc(C(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 5/20 0.41
VKORC1 Q9BQB6 7/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4D Q08499 1/20 0.38
PCSK7 Q16549 1/20 0.38
GPR35 Q9HC97 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CA2 P00918 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
SCHEMBL6576233 0.83 THRB (0.55) ALDH1A1LMNATHRATHRB
SCHEMBL6482244 0.81 THRA (0.51) NQO1VKORC1CYP2C9MEN1ABCB11
SCHEMBL6574630 0.77 GABRA1 (0.51) CYP2C9MEN1ABCB11ALDH1A1LMNA
SCHEMBL11342021 0.69 DHFR (0.49) LMNACYP1A2CYP3A4TSHRCA2
SCHEMBL9442168 0.67 GSR (0.52) LMNACYP1A2CYP3A4TSHRCA2
SCHEMBL6482781 0.66 THRB (0.74) ALDH1A1LMNAKMT2ATHRATHRB
SCHEMBL2467528 0.66 GSR (0.63) LMNACYP1A2CYP3A4TSHRMAPK1
SCHEMBL1121505 0.65 GSR (0.53) LMNACYP1A2CYP3A4TSHRMAPK1
SCHEMBL1121537 0.64 GSR (0.61) LMNACYP1A2CYP3A4TSHRMAPK1
SCHEMBL7293937 0.64 SIGMAR1 (0.67) MEN1ALDH1A1LMNATP53TSHR

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