SCHEMBL27799424

SCHEMBL27799424

CCCCCCN(CCCCCC)c1ccc(C(=O)OC(=O)c2ccccc2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN11 Q06124 1/20 0.41
PTPRO Q16827 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
STAT3 P40763 1/20 0.41
PPARA Q07869 1/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL9618027 0.95 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL2016398 0.85 MEN1 (0.60) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL29226741 0.80 ALDH1A1 (0.77) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL3659209 0.79 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL3656127 0.79 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL264913 0.79 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL28206913 0.79 HPGD (0.46) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL27756068 0.77 MEN1 (0.51) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL3660975 0.77 ALDH1A1 (0.93) ALDH1A1KDM4EPOLBGAAL3MBTL1
Benzoic Acid SCHEMBL27566360 0.75 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBGAAL3MBTL1

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-101939309-A Uva filter based on ascorbic acid derivatives MERCK PATENT GMBH 2011-01-05 CN disclosed