SCHEMBL28786148

SCHEMBL28786148

CCOC(=O)C(C)(C)Oc1cc(C)c(Cc2ccc(OCc3ccccc3)c(C(C)C)c2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.46
THRA P10827 8/20 0.46
PPARA Q07869 4/20 0.40
PPARG P37231 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRK1 P41145 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 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
SCHEMBL28786138 0.91 THRB (0.49) THRBTHRAPPARAPPARGFFAR4
SCHEMBL28786149 0.84 THRB (0.56) THRBTHRAFFAR4LMNAL3MBTL1
SCHEMBL18002694 0.81 THRB (0.69) THRBTHRAPPARGFFAR4
SCHEMBL6855002 0.80 PPARA (0.43) PPARAPPARGFFAR4OPRK1
SCHEMBL19920685 0.80 THRB (0.53) THRBTHRAFFAR4OPRK1OPRM1
SCHEMBL28786132 0.80 THRB (0.50) THRBTHRAFFAR4L3MBTL1OPRK1
SCHEMBL19859389 0.78 THRB (0.56) THRBTHRAFFAR4LMNA
SCHEMBL28786167 0.77 THRB (0.46) THRBTHRAFFAR4L3MBTL1
SCHEMBL19102267 0.77 THRB (0.54) THRBTHRAFFAR4
SCHEMBL19920556 0.76 THRB (0.51) THRBTHRAFFAR4

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-114763363-B Phosphoric acid or phosphate derivative, preparation method thereof and application thereof in medicine 上海喀露蓝科技有限公司 2024-10-01 CN disclosed
CN-114763363-A Phosphoric acid or phosphate ester derivative, preparation method thereof and application thereof in medicine 上海喀露蓝科技有限公司 2022-07-19 CN disclosed