SCHEMBL22089124

SCHEMBL22089124

Cc1cc(OCP(=O)(O)N=O)cc(C)c1Cc1ccc(O)c(N(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.60
THRA P10827 16/20 0.60
PTPN1 P18031 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 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
SCHEMBL282663 0.89 THRB (0.76) THRBTHRAPTPN1ESR1ESR2
SCHEMBL22072187 0.84 THRB (0.79) THRBTHRAPTPN1ESR1ESR2
SCHEMBL13381711 0.84 THRB (0.58) THRBTHRAESR1ESR2
SCHEMBL22071770 0.79 THRA (0.55) THRBTHRA
SCHEMBL282558 0.77 THRB (0.49) THRBTHRAESR1ESR2
SCHEMBL10274395 0.75 THRB (1.00) THRBTHRAPTPN1ESR1ESR2
SCHEMBL13381671 0.74 THRB (0.83) THRBTHRAPTPN1ESR1ESR2
SCHEMBL3156392 0.73 THRB (0.58) THRBTHRAPTPN1
SCHEMBL282128 0.72 THRB (0.79) THRBTHRAPTPN1
SCHEMBL328325 0.72 THRB (1.00) THRBTHRAPTPN1ESR1ESR2

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-2020117987-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS VIKING THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed