SCHEMBL25639251

SCHEMBL25639251

CC(CN(CC(C)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC(C)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HMGCR P04035 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
SCHEMBL25639294 0.91 KMT2A (0.42) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL25639299 0.85 KMT2A (0.38) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL9015840 0.85 LMNA (0.46) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL9015696 0.81 LMNA (0.43) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL29160406 0.81 CA2 (0.59) LMNARECQLALDH1A1SMN1; SMN2ALOX5
SCHEMBL9015594 0.79 LMNA (0.41) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL9015644 0.78 LMNA (0.40) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL9015646 0.78 LMNA (0.40) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL9015694 0.76 LMNA (0.39) KMT2ALMNARECQLALDH1A1SMN1; SMN2
SCHEMBL9015753 0.75 LMNA (0.38) KMT2ALMNARECQLALOX5PTGS1

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
WO-2023098670-A1 POLYPHENOL ANTIOXIDANT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 天集化工助剂(沧州)有限公司 2023-06-08 WO disclosed