SCHEMBL28699573

SCHEMBL28699573

CCOC(=O)C(C(C)C)N(CC(C)C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
MMP8 P22894 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
SCHEMBL28699571 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL24660646 0.86 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28699570 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28699568 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28684973 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28684971 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28870482 0.81 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28870483 0.81 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL13321723 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28870494 0.79 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10POLBL3MBTL1

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-114026135-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2022-11-01 CN disclosed
CN-114026135-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2022-02-08 CN disclosed