SCHEMBL28679294

SCHEMBL28679294

CCCCN(C(=O)OCC)C(C(=O)OCC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
CPB2 Q96IY4 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL28870494 1.00 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28870497 0.94 EPHX2 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28932264 0.94 EPHX2 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28695122 0.94 EPHX2 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28870503 0.94 EPHX2 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28699568 0.90 ALDH1A1 (0.40) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28699570 0.90 ALDH1A1 (0.40) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL24661363 0.87 ALDH1A1 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28700846 0.86 EPHX2 (0.36) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28684973 0.82 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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