SCHEMBL14489397

SCHEMBL14489397

O=C(O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(I)c2)c2c1CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.58
THRA P10827 11/20 0.58
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CYP2C9 P11712 1/20 0.42
PCNA P12004 1/20 0.42
GABRA1 P14867 1/20 0.42
HPGD P15428 1/20 0.42
RXRA P19793 1/20 0.42
HTR2A P28223 1/20 0.42
AGTR1 P30556 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL5396846 0.88 THRB (0.74) THRBTHRA
SCHEMBL14489363 0.88 THRB (0.62) THRBTHRA
SCHEMBL14489277 0.86 THRB (0.48) THRBTHRA
SCHEMBL14489394 0.85 THRB (0.56) THRBTHRA
SCHEMBL14488957 0.85 THRA (0.81) THRBTHRA
SCHEMBL14488836 0.81 THRB (0.52) THRBTHRA
SCHEMBL14489274 0.80 THRB (0.49) THRBTHRA
SCHEMBL14488954 0.80 THRB (0.51) THRBTHRA
SCHEMBL14489494 0.80 THRB (0.67) THRBTHRA
SCHEMBL14488955 0.80 THRB (0.53) THRBTHRA

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
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed