SCHEMBL6857633

SCHEMBL6857633

Cc1c(NC(=O)CC(=O)O)cc(Cl)c(Oc2ccc(O)c(C(C)CI)c2)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.71
THRB P10828 17/20 0.71

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
SCHEMBL2043896 0.90 THRA (0.86) THRATHRB
SCHEMBL5041616 0.83 THRB (0.64) THRATHRB
SCHEMBL5041614 0.79 THRB (0.64) THRATHRB
Propane SCHEMBL5037739 0.77 THRB (0.77) THRATHRB
SCHEMBL5038118 0.77 THRB (0.76) THRATHRB
SCHEMBL6064868 0.76 THRA (0.79) THRATHRB
SCHEMBL2043784 0.74 THRB (0.78) THRATHRB
SCHEMBL14489213 0.74 THRB (0.82) THRATHRB
SCHEMBL5555336 0.74 THRB (0.72) THRATHRB
SCHEMBL2041277 0.73 THRA (0.73) THRATHRB

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
US-6800605-B1 WITH A HYPOLIPIDEMIC AGENT, AN ANTIDIABETIC AGENT, AN ANTIDEPRESSANT, A BONE RESORPTION INHIBITOR, AN APPETITE SUPPRESSANT AND/OR AN ANTI-OBESITY AGENT BRISTOL-MYERS SQUIBB COMPANY 2004-10-05 US disclosed