SCHEMBL14489255

SCHEMBL14489255

Cc1cc(CC(=O)O)c2c(c1Oc1ccc(O)c(S(=O)(=O)c3ccc(F)cc3)c1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.51
THRA P10827 15/20 0.51
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL14489180 0.91 THRB (0.51) THRBTHRA
SCHEMBL14488902 0.84 THRB (0.70) THRBTHRA
SCHEMBL6853009 0.83 THRA (0.45) THRBTHRAMMP1MMP2MMP3
SCHEMBL14489092 0.83 THRB (0.64) THRBTHRA
SCHEMBL14488964 0.82 THRB (0.62) THRBTHRA
SCHEMBL14489095 0.81 THRB (0.42) THRBTHRA
SCHEMBL14489239 0.79 THRB (0.53) THRBTHRA
SCHEMBL6852992 0.79 THRA (0.57) THRBTHRA
SCHEMBL14489245 0.78 THRB (0.55) THRBTHRA
SCHEMBL14489241 0.78 THRB (0.51) 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 1 patent. 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