SCHEMBL29210240

SCHEMBL29210240

CC(C)(C)[Si](C)(C)OCc1ccc(C(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FFAR1 O14842 12/20 0.37
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2882196 0.82 PTGS2 (0.51) CYP2C9PTGS1PTGS2HTT
SCHEMBL5029906 0.78 CA2 (0.48) GAAALDH1A1POLBPTGS1FFAR1
SCHEMBL23501385 0.78 MAPK1 (0.43) ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL23501462 0.76 KDM4E (0.44) CYP2C9CYP2C19PPARGHTTMAPT
SCHEMBL31201807 0.75 IDO1 (0.41) ALDH1A1HTT
SCHEMBL3722014 0.75 RXRA (0.51) ALDH1A1POLB
SCHEMBL12855497 0.75 IDO1 (0.56) L3MBTL1ALDH1A1POLB
SCHEMBL11137284 0.73 L3MBTL1 (0.71) L3MBTL1GAAALDH1A1POLBTDP1
SCHEMBL6303196 0.73 SMN1; SMN2 (0.54) ALDH1A1FFAR1PPARGMAPT
SCHEMBL3907320 0.73 PRKCA (0.42) L3MBTL1ALDH1A1POLBTDP1FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063537-A Prodrugs of directed lymphatics 莫纳什大学 2024-05-24 CN disclosed
CN-108137482-B Prodrugs of directed lymphatics 莫纳什大学 2024-03-15 CN disclosed
CN-114031658-A Lymphatic prodrugs 莫纳什大学 2022-02-11 CN disclosed