SCHEMBL21751919

SCHEMBL21751919

CC(COc1nc2c(ccn2COCC[Si](C)(C)C)cc1Br)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.34
▸ KLKB1 P03952 1/20 0.32
▸ MAPT P10636 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL20767621 0.89 AAK1 (0.33) DGAT1MAPTALDH1A1HPGD
SCHEMBL28435579 0.87 DGAT1 (0.35) DGAT1KLKB1
SCHEMBL20767572 0.82 DGAT1 (0.35) DGAT1
SCHEMBL28444204 0.82 DGAT1 (0.33) DGAT1
SCHEMBL21751870 0.80 DGAT1 (0.34) DGAT1
SCHEMBL28440805 0.79 DGAT1 (0.33) DGAT1
SCHEMBL25615934 0.79 DGAT1 (0.37) DGAT1
SCHEMBL21751562 0.79 DGAT1 (0.38) DGAT1
SCHEMBL21751510 0.79 MTNR1A (0.37) DGAT1
SCHEMBL21751511 0.79 MTNR1A (0.37) DGAT1

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-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
WO-2020041405-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
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