SCHEMBL3710069

SCHEMBL3710069

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.41
PRSS12 P56730 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL3704670 0.93 TSHR (0.40) POLBTSHRPRSS12MAPTHTT
SCHEMBL3704908 0.92 MAPT (0.39) POLBMAPTHTTNPSR1ALDH1A1
SCHEMBL3705791 0.90 STAT3 (0.44) PRSS12HPGDSTAT3F2F10
SCHEMBL3223086 0.90 POLB (0.50) POLBTSHRMAPTHTTNPSR1
SCHEMBL3704933 0.88 NR3C1 (0.38) POLBTSHRMAPTHTTNPSR1
SCHEMBL3223460 0.87 POLB (0.49) POLBMAPTHTTNPSR1ALDH1A1
SCHEMBL3715784 0.87 TSHR (0.39) TSHRMAPTLPAR1LPAR2HPGD
SCHEMBL3705439 0.85 TSPO (0.38) TSHRMAPTHTTALDH1A1HPGD
SCHEMBL3714771 0.83 ESR1 (0.38) TSHRMAPTHTTALDH1A1LPAR1
SCHEMBL3703153 0.82 THRB (0.45) NR3C1

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