SCHEMBL28870468

SCHEMBL28870468

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 3/20 0.33
CA2 P00918 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DNM1 Q05193 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28870496 0.93 EPHX2 (0.37) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL20165510 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL29966662 0.85 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28695120 0.85 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28694316 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL21159624 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28059923 0.80 GABRA1 (0.38) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL28701714 0.80 HSD17B10 (0.43) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28677857 0.80 EPHX2 (0.37) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28683204 0.80 EPHX2 (0.37) 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 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