SCHEMBL27666366

SCHEMBL27666366

Cc1cc([C]=O)cc(C)c1Cc1ccc(O)c(Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRA P10827 8/20 0.44
THRB P10828 8/20 0.44
IDH1 O75874 1/20 0.43
OPRK1 P41145 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HNF4A P41235 1/20 0.41
POLB P06746 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL12824842 0.85 MEN1 (0.51) SLC7A5MEN1KMT2ACYP3A4HPGD
SCHEMBL27053517 0.81 MEN1 (0.48) SLC7A5MEN1KMT2ACYP3A4HPGD
SCHEMBL12824843 0.79 THRA (0.46) SLC7A5MEN1KMT2ACYP3A4HPGD
SCHEMBL281929 0.79 THRA (0.63) SLC7A5MEN1KMT2ACYP3A4HPGD
SCHEMBL29373597 0.78 THRB (0.69) SLC7A5THRATHRB
SCHEMBL3341367 0.78 THRB (0.69) SLC7A5THRATHRB
SCHEMBL19508336 0.77 THRB (0.54) SLC7A5MEN1KMT2ACYP3A4HPGD
SCHEMBL12824840 0.77 THRB (0.57) SLC7A5MEN1KMT2ACYP3A4HPGD
SCHEMBL10886054 0.76 IDH1 (0.70) SLC7A5MEN1KMT2ACYP3A4HPGD
SCHEMBL9173452 0.76 IDH1 (0.70) SLC7A5MEN1KMT2ACYP3A4HPGD

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
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed