SCHEMBL28870501

SCHEMBL28870501

CCCN(C(=O)OCC)C(C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
PTGIR P43119 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 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
SCHEMBL28870498 1.00 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL20165507 0.87 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL28957336 0.86 EPHX2 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL28699564 0.86 EPHX2 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL28957338 0.86 EPHX2 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL28957319 0.86 EPHX2 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL28870488 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL28870487 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL18125067 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB
SCHEMBL28699568 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10L3MBTL1POLB

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 1 patent. 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