SCHEMBL6503745

SCHEMBL6503745

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.46
THRB P10828 6/20 0.46
RARB P10826 6/20 0.45
HSD17B3 P37058 6/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RARA P10276 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 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
SCHEMBL6503746 0.80 THRA (0.46) THRATHRBRARBHSD17B3MEN1
SCHEMBL6507158 0.79 RARB (0.45) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL6505903 0.79 MMP12 (0.64)
SCHEMBL9138023 0.77 THRA (0.72) THRATHRBRARBHSD17B3MEN1
SCHEMBL6505454 0.76 ACACB (0.49)
SCHEMBL10778455 0.75 RARB (0.71) THRATHRBRARBHSD17B3MEN1
SCHEMBL6506346 0.73 KMT2A (0.43) MEN1MAPTKMT2A
SCHEMBL6505017 0.72 MMP12 (0.51) MEN1ALDH1A1KMT2A
SCHEMBL8501592 0.72 THRA (0.57) THRATHRBHSD17B3
SCHEMBL4293988 0.72 THRA (0.57) THRATHRBHSD17B3

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