SCHEMBL3705791

SCHEMBL3705791

CCOC(=O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(O)c(C(=O)c3ccc(Cl)cc3)c2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.44
HPGD P15428 1/20 0.41
THRB P10828 8/20 0.41
PRSS12 P56730 1/20 0.41
THRA P10827 7/20 0.38
PTGES O14684 1/20 0.38
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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
SCHEMBL3710069 0.90 POLB (0.47) STAT3HPGDPRSS12F2F10
SCHEMBL3705055 0.90 STAT3 (0.48) STAT3THRBTHRAPTGES
SCHEMBL3704056 0.85 THRA (0.41) STAT3THRBPRSS12THRA
SCHEMBL3225769 0.84 THRB (0.40) STAT3THRBTHRAPTGES
SCHEMBL3704670 0.83 TSHR (0.40) HPGDTHRBPRSS12
SCHEMBL3704908 0.82 MAPT (0.39) HPGDTHRBTHRAF2F10
SCHEMBL3710521 0.82 THRB (0.46) STAT3THRBTHRA
SCHEMBL3220254 0.81 KMT2A (0.38) STAT3HPGDTHRBTHRA
SCHEMBL3710141 0.81 THRB (0.51) STAT3THRBTHRAPTGES
SCHEMBL3706056 0.80 THRA (0.40) STAT3THRBTHRA

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

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