SCHEMBL27723352

SCHEMBL27723352

CCCCCCN1CC(C(=O)O)=C(O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.44
ALDH1A1 P00352 1/20 0.42
GBA1 P04062 1/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
CDC25A P30304 9/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL27702749 1.00 LIPG (0.44) LIPGALDH1A1GBA1HTTKDM4E
SCHEMBL9206916 0.81 ALDH1A1 (0.48) LIPGALDH1A1GBA1HTTKDM4E
SCHEMBL9210937 0.79 LIPG (0.40) LIPGALDH1A1GBA1KDM4EL3MBTL1
SCHEMBL6077439 0.77 LIPG (0.35) LIPGKDM4E
SCHEMBL6076712 0.74 L3MBTL1 (0.38) LIPGALDH1A1KDM4EL3MBTL1
SCHEMBL6077393 0.74 LIPG (0.39) LIPGALDH1A1KDM4E
SCHEMBL6078249 0.73 PARP1 (0.45) LIPGALDH1A1L3MBTL1
SCHEMBL6078524 0.71 LIPG (0.37) LIPG
SCHEMBL6077535 0.71 LIPG (0.51) LIPGALDH1A1HTTKDM4E
SCHEMBL6078061 0.70 TSHR (0.41) LIPG

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-101190894-A Fatty acid synthetic enzyme inhibitor and medical preparation use thereof POISON MED INST PLA MED ACAD (CN) 2008-06-04 CN disclosed