SCHEMBL28575461

SCHEMBL28575461

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.62
THRB P10828 2/20 0.54
THRA P10827 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
RARB P10826 4/20 0.51
MEN1 O00255 1/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
ADRB3 P13945 5/20 0.51
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50

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
SCHEMBL28378269 1.00 PPARA (0.62) PPARATHRBTHRAALDH1A1CYP1A2
SCHEMBL28379854 1.00 PPARA (0.62) PPARATHRBTHRAALDH1A1CYP1A2
SCHEMBL10455281 0.94 CYP1A2 (0.57) PPARATHRBTHRAALDH1A1CYP1A2
SCHEMBL10455279 0.94 CYP1A2 (0.57) PPARATHRBTHRAALDH1A1CYP1A2
SCHEMBL10453831 0.89 PPARA (0.52) PPARAALDH1A1CYP1A2GAACYP2C9
SCHEMBL10453832 0.89 PPARA (0.52) PPARAALDH1A1CYP1A2GAACYP2C9
SCHEMBL12612079 0.87 PPARG (0.58) PPARATHRBCYP1A2GAACYP2C9
SCHEMBL10207291 0.87 PPARG (0.58) PPARATHRBCYP1A2GAACYP2C9
SCHEMBL12612251 0.87 PPARG (0.58) PPARATHRBCYP1A2GAACYP2C9
SCHEMBL28356075 0.86 PPARA (0.64) PPARATHRBTHRAALDH1A1RARB

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 4 patents. 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 claimed
CN-119284940-A Method for preparing low-sulfate-radical rare earth carbonate from low-concentration rare earth sulfate solution 包头稀土研究院 2025-01-10 CN disclosed
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
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