SCHEMBL2169968

SCHEMBL2169968

CCOC(=O)C(C)ON=Cc1cc(Br)c(Oc2ccc(O)c(COc3ccc(Cl)cc3)c2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRA P10827 7/20 0.36
THRB P10828 7/20 0.36
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.35
GCGR P47871 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
SCHEMBL2762233 0.91 THRA (0.39) LMNAMEN1MAPTKMT2ANPSR1
SCHEMBL16496563 0.84 THRB (0.38) LMNAMEN1MAPTKMT2ANPSR1
SCHEMBL2169679 0.84 THRB (0.38) LMNAMEN1MAPTKMT2ANPSR1
SCHEMBL2169971 0.84 THRA (0.44) LMNAMEN1MAPTKMT2ANPSR1
SCHEMBL2170345 0.80 THRA (0.44) THRATHRB
SCHEMBL2170341 0.80 THRA (0.44) THRATHRB
SCHEMBL2170699 0.79 TNFRSF1A (0.40) LMNAMEN1MAPTKMT2APOLB
SCHEMBL2170701 0.79 TNFRSF1A (0.40) LMNAMEN1MAPTKMT2APOLB
SCHEMBL2169568 0.79 THRB (0.37) LMNAKMT2ATHRATHRB
SCHEMBL16496483 0.79 THRB (0.37) LMNAKMT2ATHRATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346814-A2 THYROID RECEPTOR LIGANDS Cadila Healthcare Limited (IN) 2011-07-27 EP disclosed