SCHEMBL3715369

SCHEMBL3715369

CCC(C(=O)N(CC(=O)O)c1cc(Cl)c(Oc2ccc(OC)c(C(C)C)c2)c(Cl)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.55
RORC P51449 7/20 0.55
THRA P10827 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3708450 0.86 THRB (0.43) THRBRORCTHRAMEN1LMNA
SCHEMBL3706521 0.77 RORC (0.53) THRBRORCTHRA
SCHEMBL3715368 0.77 RORC (0.61) THRBRORCTHRA
SCHEMBL3707602 0.77 RORC (0.50) THRBRORCTHRA
SCHEMBL3709214 0.77 RORC (0.50) THRBRORCTHRA
SCHEMBL3714119 0.76 RORC (0.49) THRBRORCTHRAMEN1KMT2A
SCHEMBL3233002 0.75 RORC (0.55) THRBRORCTHRA
SCHEMBL3707379 0.75 RORC (0.57) THRBRORCTHRA
SCHEMBL5284086 0.75 THRB (0.59) THRBRORCTHRA
SCHEMBL3703142 0.74 RORC (0.52) THRBRORCTHRA

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