SCHEMBL6503746

SCHEMBL6503746

CCCCCC(=O)c1ccc(-c2ccc(CCC(COC(C)=O)COC(C)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.46
THRB P10828 6/20 0.46
RARB P10826 6/20 0.46
HSD17B3 P37058 6/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
S1PR5 Q9H228 2/20 0.43

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
SCHEMBL6503745 0.80 THRA (0.46) THRATHRBRARBHSD17B3MEN1
SCHEMBL4293988 0.78 THRA (0.57) THRATHRBHSD17B3
SCHEMBL8501592 0.78 THRA (0.57) THRATHRBHSD17B3
SCHEMBL6507161 0.78 RARB (0.46) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9138023 0.78 THRA (0.72) THRATHRBRARBHSD17B3MEN1
SCHEMBL10778455 0.76 RARB (0.71) THRATHRBRARBHSD17B3MEN1
Acetamide SCHEMBL6528944 0.75 THRA (0.46) THRATHRBMEN1ALDH1A1MAPT
SCHEMBL6505456 0.75 SLC13A5 (0.48)
SCHEMBL5402713 0.74 THRA (0.42) THRATHRBRARBHSD17B3MEN1
SCHEMBL11440891 0.73 THRA (0.79) THRATHRBRARBHSD17B3

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-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed