SCHEMBL28599043

SCHEMBL28599043

CCCCCCCCCCCCc1ccc(OC(C)CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.58
▸ S1PR2 O95136 5/20 0.58
▸ PPARA Q07869 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ S1PR3 Q99500 5/20 0.53
▸ S1PR4 O95977 2/20 0.53
▸ THRB P10828 2/20 0.51
▸ THRA P10827 1/20 0.51
▸ RARB P10826 4/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RARA P10276 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.48
▸ CYSLTR1 Q9Y271 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8919565 0.84 S1PR1 (0.55) S1PR1S1PR2PPARAALDH1A1S1PR3
SCHEMBL28378269 0.82 PPARA (0.62) S1PR1S1PR2PPARAALDH1A1THRB
SCHEMBL28575461 0.82 PPARA (0.62) S1PR1S1PR2PPARAALDH1A1THRB
SCHEMBL28379854 0.82 PPARA (0.62) S1PR1S1PR2PPARAALDH1A1THRB
SCHEMBL9355858 0.82 ALDH1A1 (0.52) S1PR1S1PR2PPARAALDH1A1S1PR3
SCHEMBL28356075 0.81 PPARA (0.64) S1PR1S1PR2PPARAALDH1A1S1PR3
SCHEMBL2563780 0.79 FFAR1 (0.54) PPARAALDH1A1MEN1MAPTKMT2A
SCHEMBL10358955 0.79 ESR1 (0.55) S1PR1S1PR2PPARAALDH1A1S1PR3
SCHEMBL9319765 0.78 RARB (0.50) S1PR1S1PR2PPARAALDH1A1S1PR3
SCHEMBL28381180 0.78 PPARA (0.72) PPARAALDH1A1THRBTHRARARB

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
CN-109913650-B Method for converting rare earth sulfate into rare earth chloride 厦门稀土材料研究所 2021-06-22 — — CN disclosed
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