Sugi Predict

Sugi Predict / Compounds / SCHEMBL28519906

SCHEMBL28519906

SCHEMBL28519906

CC(C)(C)[Si](C)(C)OCCOCCOCCOCCOC(=O)OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28519902 1.00 DUT (0.41) DUTALDH1A1TSHRTP53HIF1A
SCHEMBL16587939 0.87 ALDH1A1 (0.48) DUTALDH1A1TSHRTHRBHSD17B10
SCHEMBL3799853 0.85 DUT (0.39) DUTALDH1A1TSHRTP53HIF1A
SCHEMBL16197570 0.85 DUT (0.39) DUTALDH1A1TSHRTP53HIF1A
SCHEMBL19460464 0.82 DUT (0.39) DUTALDH1A1
SCHEMBL12262543 0.82 TSHR (0.38) DUTALDH1A1TSHR
SCHEMBL12262544 0.81 MAPK1 (0.33) DUT
SCHEMBL5855232 0.79 DUT (0.37) DUT
SCHEMBL4598387 0.79 DUT (0.40) DUTTSHRTHRBHSD17B10
SCHEMBL31637875 0.79 DUT (0.40) DUTALDH1A1HSD17B10

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-112442011-B Prodrug compound and application thereof in treating cancers 润佳（苏州）医药科技有限公司 2023-11-14 — — CN disclosed
CN-112442011-A Prodrug compound and application thereof in treating cancer 润佳（苏州）医药科技有限公司 2021-03-05 — — CN disclosed