SCHEMBL3704670

SCHEMBL3704670

CCOC(=O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(OC)c(C(=O)c3cccc(Cl)c3)c2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.38
NR3C1 P04150 1/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 5/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 2/20 0.36
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PRSS12 P56730 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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 0.93 POLB (0.47) TSHRPOLBNR3C1LPAR1LPAR2
SCHEMBL3704933 0.91 NR3C1 (0.38) TSHRPOLBNR3C1LPAR1TDP1
SCHEMBL3704908 0.88 MAPT (0.39) POLBNR3C1LPAR1TP53MAPT
SCHEMBL3715784 0.86 TSHR (0.39) TSHRLPAR1LPAR2MEN1KMT2A
SCHEMBL3709210 0.85 THRB (0.41) NR3C1TDP1TP53MAPTTHRB
SCHEMBL3705439 0.84 TSPO (0.38) TSHRMEN1KMT2AMAPTTHRB
SCHEMBL3230918 0.84 POLB (0.40) TSHRPOLBMEN1KMT2ATDP1
SCHEMBL3705791 0.83 STAT3 (0.44) THRBPRSS12HPGD
SCHEMBL3223086 0.83 POLB (0.50) TSHRPOLBMEN1KMT2AMAPT
SCHEMBL3714771 0.83 ESR1 (0.38) TSHRLPAR1LPAR2MEN1KMT2A

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