SCHEMBL3715784

SCHEMBL3715784

CCOC(=O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(OC)c(C(=O)N(CC)CC)c2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LPAR1 Q92633 4/20 0.37
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPT P10636 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
HPGD P15428 1/20 0.35
PLA2G2A P14555 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 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
SCHEMBL3711117 0.90 TSHR (0.43) TSHRLPAR1LMNAUSP2LPAR5
SCHEMBL3705439 0.88 TSPO (0.38) TSHRLMNAUSP2THRBTHRA
SCHEMBL3710069 0.87 POLB (0.47) TSHRLPAR1MEN1KMT2AF2
SCHEMBL3704908 0.87 MAPT (0.39) LPAR1LMNAUSP2LPAR5THRB
SCHEMBL3704670 0.86 TSHR (0.40) TSHRLPAR1THRBMEN1KMT2A
SCHEMBL3704933 0.86 NR3C1 (0.38) TSHRLPAR1LMNAUSP2LPAR5
SCHEMBL3703153 0.85 THRB (0.45) THRBTHRA
SCHEMBL3707230 0.85 LMNA (0.36) TSHRLPAR1LMNAUSP2THRB
SCHEMBL3714771 0.84 ESR1 (0.38) TSHRLPAR1LMNAUSP2THRB
SCHEMBL3711114 0.84 TSHR (0.44) TSHRLMNAMEN1KMT2A

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