SCHEMBL5329550

SCHEMBL5329550

COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
NPBWR1 P48145 3/20 0.37
MCHR1 Q99705 3/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
ERBB2 P04626 2/20 0.36
EGFR P00533 1/20 0.36
RORC P51449 1/20 0.35
ESRRA P11474 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 2/20 0.32

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
SCHEMBL5324510 0.85 THRB (0.38) THRBTHRANPBWR1MCHR1ALDH1A1
SCHEMBL5323874 0.84 RORC (0.55) THRBTHRARORC
SCHEMBL5323684 0.83 TSHR (0.40) THRBNPBWR1MCHR1ALDH1A1GAA
SCHEMBL5326299 0.83 L3MBTL1 (0.49) THRBALDH1A1TDP1RAB9AKMT2A
SCHEMBL5326111 0.82 THRB (0.39) THRBTHRANPBWR1MCHR1ALDH1A1
SCHEMBL5324978 0.82 POLB (0.43) NPBWR1MCHR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5328482 0.82 ALDH1A1 (0.52) THRBNPBWR1ALDH1A1GAARAB9A
SCHEMBL5326859 0.81 THRB (0.46) THRBTHRANPBWR1MCHR1RORC
SCHEMBL5326106 0.81 F2 (0.36) THRBTHRANPBWR1MCHR1RORC
SCHEMBL5327154 0.80 TSHR (0.43) ALDH1A1GAARAB9ASMN1; SMN2KMT2A

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
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed