SCHEMBL28280267

SCHEMBL28280267

CC1OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
ACE P12821 4/20 0.33
SLC6A9 P48067 2/20 0.33
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16837374 0.93 HSD17B10 (0.37) HSD17B10ACEKDM4EALDH1A1POLB
SCHEMBL17287341 0.74 HSD17B10 (0.53) HSD17B10SLC6A9S1PR1KDM4EALDH1A1
SCHEMBL3035191 0.73 HSD17B10 (0.52) HSD17B10ACESLC6A9KDM4EALDH1A1
SCHEMBL13104001 0.71 HSD17B10 (0.43) HSD17B10ACESLC6A9KDM4EALDH1A1
SCHEMBL529016 0.71 HSD17B10 (0.43) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL27615004 0.70 ACE (0.37) HSD17B10ACESMN1; SMN2
SCHEMBL16396088 0.70 SLC6A9 (0.32) SLC6A9
SCHEMBL16396799 0.70 SLC6A9 (0.32) SLC6A9
SCHEMBL2544936 0.69 PIK3CD (0.55) HSD17B10SLC6A9S1PR1KDM4EALDH1A1
Methyl Alcohol SCHEMBL27615034 0.69 ACE (0.36) HSD17B10ACESMN1; SMN2

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-109477038-A ENCAPSULATED LAUNDRY CLEANING COMPOSITION 巴斯夫欧洲公司 2019-03-15 CN disclosed