SCHEMBL28786149

SCHEMBL28786149

CCOC(=O)COc1cc(C)c(Cc2ccc(OCc3ccccc3)c(C(C)C)c2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.56
THRA P10827 12/20 0.56
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.41
LMNA P02545 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL19920685 0.93 THRB (0.53) THRBTHRAESR1FFAR4NPC1
SCHEMBL19102267 0.91 THRB (0.54) THRBTHRAFFAR4NPC1MAPK1
SCHEMBL18002694 0.90 THRB (0.69) THRBTHRAFFAR4
SCHEMBL19920556 0.89 THRB (0.51) THRBTHRAFFAR4NPC1MAPK1
SCHEMBL19859389 0.86 THRB (0.56) THRBTHRALMNAFFAR4POLB
SCHEMBL24449952 0.86 THRB (0.55) THRBTHRA
SCHEMBL19102268 0.84 THRB (0.46) THRBTHRAL3MBTL1
SCHEMBL28786148 0.84 THRB (0.46) THRBTHRALMNAFFAR4L3MBTL1
SCHEMBL19505434 0.83 THRB (0.75) THRBTHRA
SCHEMBL18028293 0.82 THRB (0.77) THRBTHRA

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