SCHEMBL3701809

SCHEMBL3701809

CCOC(=O)CN(C(=O)c1ccccc1)c1cc(Cl)c(Oc2ccc(OC)c(Cc3ccccc3)c2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
RORC P51449 2/20 0.40
ESR1 P03372 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 1/20 0.37
LPAR1 Q92633 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSPO P30536 1/20 0.35
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
ALDH1A1 P00352 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
SCHEMBL3708448 0.92 THRB (0.45) THRBRORCESR1LTA4HMEN1
SCHEMBL3224353 0.91 THRB (0.41) THRBRORCESR1LTA4HMEN1
SCHEMBL3714771 0.90 ESR1 (0.38) THRBESR1NPC1RAB9ALTA4H
SCHEMBL3221169 0.88 THRB (0.39) THRBRORCESR1LTA4HMEN1
SCHEMBL3793749 0.86 THRB (0.41) THRBRORCLPAR1KMT2ALPAR2
SCHEMBL3706521 0.85 RORC (0.53) THRBRORC
SCHEMBL3814388 0.85 ALDH1A1 (0.39) THRBRORCNPC1RAB9AMEN1
SCHEMBL3711117 0.84 TSHR (0.43) THRBRORCLPAR1MEN1KMT2A
SCHEMBL3711993 0.84 THRB (0.45) THRBRORCTSHRUSP2LMNA
SCHEMBL3955909 0.83 THRB (0.37) THRBRORCESR1TSHRUSP2

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