SCHEMBL3707632

SCHEMBL3707632

CCN(CC)S(=O)(=O)c1cc(Oc2c(Cl)cc(N(CC(=O)O)C(=O)c3ccccc3)cc2Cl)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.40
THRB P10828 14/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
DAGLA Q9Y4D2 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
SCHEMBL3706492 0.89 THRB (0.40) THRATHRBKMT2A
SCHEMBL3703589 0.82 THRB (0.44) THRATHRB
SCHEMBL3707850 0.81 TSHR (0.44) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL3713193 0.80 THRA (0.51) THRATHRB
SCHEMBL3708498 0.80 THRA (0.61) THRATHRB
SCHEMBL3778662 0.80 THRB (0.63) THRATHRB
SCHEMBL3705942 0.78 THRB (0.45) THRATHRBKMT2A
SCHEMBL3807063 0.76 THRB (0.58) THRATHRB
SCHEMBL3223034 0.75 THRB (0.42) THRATHRB
SCHEMBL3713941 0.74 THRB (0.50) THRATHRBKMT2A

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
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO claimed
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed