SCHEMBL28939485

SCHEMBL28939485

CCC(C(=O)O)C(F)(F)Oc1nc2c(ccn2COCC[Si](C)(C)C)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.35
▸ KLKB1 P03952 1/20 0.33
▸ PTPN1 P18031 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
SCHEMBL31385458 0.82 DGAT1 (0.40) DGAT1
SCHEMBL21751633 0.80 DGAT1 (0.37) DGAT1KLKB1
SCHEMBL21751555 0.79 DGAT1 (0.38) DGAT1
SCHEMBL21751490 0.78 DGAT1 (0.38) DGAT1
SCHEMBL21751689 0.76 DGAT1 (0.36) DGAT1
SCHEMBL30074963 0.76 DGAT1 (0.36) DGAT1
SCHEMBL25349464 0.76 DGAT1 (0.38) DGAT1
SCHEMBL21751562 0.75 DGAT1 (0.38) DGAT1
SCHEMBL20767549 0.75 DGAT1 (0.46) DGAT1
SCHEMBL21751919 0.75 DGAT1 (0.34) DGAT1KLKB1

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-116270660-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-23 — — CN disclosed
CN-116236583-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-09 — — CN disclosed
CN-115484933-A Hot melt extrusion solid dispersions containing BCL2 inhibitors 广州麓鹏制药有限公司 2022-12-16 — — CN disclosed
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