SCHEMBL29800201

SCHEMBL29800201

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1C(O)c1ccc(OCc2ccccc2)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
GLRA1 P23415 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGER1 P34995 1/20 0.35
ALOX5 P09917 1/20 0.34
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL282205 0.84 THRA (0.34) THRATHRB
SCHEMBL30483275 0.82 GLRA1 (0.38) MAPK1LMNAHPGDTSHRHTT
SCHEMBL28786167 0.81 THRB (0.46) MAPK1HTTFFAR4GLRA1MAPT
SCHEMBL25983474 0.80 THRA (0.33) THRATHRB
SCHEMBL6854409 0.79 KEAP1 (0.36) KEAP1NFE2L2
SCHEMBL283172 0.77 THRA (0.32) THRATHRB
SCHEMBL23824146 0.76 FFAR4 (0.48) MAPK1HTTALDH1A1FFAR4MAPT
SCHEMBL16785955 0.76 GLRA1 (0.47) MAPK1LMNAHPGDTSHRHTT
SCHEMBL12889910 0.74 GLRA1 (0.50) MAPK1LMNAHTTALDH1A1FFAR4
SCHEMBL19920686 0.74 THRB (0.51) FFAR4GLRA1THRATHRB

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