SCHEMBL5327062

SCHEMBL5327062

CCC(C)c1cc(Oc2c(C)cc(N3CC(=O)NC3=O)cc2C)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.45
THRA P10827 8/20 0.36
RORC P51449 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CRHR1 P34998 1/20 0.33

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
SCHEMBL5328904 0.90 THRB (0.50) THRBTHRARORC
SCHEMBL5326859 0.89 THRB (0.46) THRBTHRARORC
SCHEMBL5327813 0.88 THRB (0.56) THRBTHRA
SCHEMBL5327791 0.80 THRB (0.67) THRBTHRA
SCHEMBL5330306 0.80 THRB (0.43) THRBTHRARORCCRHR1
SCHEMBL5323874 0.78 RORC (0.55) THRBTHRARORC
SCHEMBL5326809 0.77 THRB (0.46) THRBTHRA
SCHEMBL5324510 0.73 THRB (0.38) THRBTHRARORC
SCHEMBL1992687 0.70 MEN1 (0.41) TSHRMAPK1
SCHEMBL5326865 0.69 RORC (0.46) THRBTHRARORC

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