SCHEMBL4070627

SCHEMBL4070627

O=C([N]c1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC4CCC3C4)c2)c(Cl)c1)Oc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.41
HSP90AA1 P07900 4/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRA P10827 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD11B1 P28845 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4070630 0.85 THRB (0.41) THRBHSP90AA1ALDH1A1USP2LMNA
SCHEMBL3226077 0.81 THRB (0.38) THRBHSP90AA1ALDH1A1THRANPSR1
SCHEMBL3226755 0.80 THRB (0.41) THRBHSP90AA1ALDH1A1USP2LMNA
SCHEMBL13044566 0.79 THRB (0.48) THRBHSP90AA1ALDH1A1USP2LMNA
SCHEMBL6659752 0.78 THRB (0.49) THRBHSP90AA1ALDH1A1THRA
SCHEMBL13381911 0.75 THRB (0.49) THRBHSP90AA1ALDH1A1THRA
SCHEMBL6218620 0.74 THRB (0.75) THRBTHRA
SCHEMBL3232843 0.73 MAPT (0.37) THRBHSP90AA1ALDH1A1USP2LMNA
SCHEMBL16495910 0.69 HSP90AA1 (0.39) THRBHSP90AA1ALDH1A1THRANPSR1
SCHEMBL16495912 0.69 HSP90AA1 (0.39) THRBHSP90AA1ALDH1A1THRANPSR1

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-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP disclosed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed