SCHEMBL28649486

SCHEMBL28649486

COc1ccc(C(=O)OC(=O)CN)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PDE4D Q08499 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TUBB1 Q9H4B7 3/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8526786 0.85 MAPT (0.55) PKMKMT2AMEN1MAPTTDP1
Methyl 2,3,4-Trimethoxybenzoate SCHEMBL1434191 0.78 ALDH1A1 (0.57) PKMKMT2AMEN1MAPTTDP1
SCHEMBL28503863 0.76 PARP15 (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6613660 0.76 KMT2A (0.59) PKMKMT2AMEN1MAPTTDP1
SCHEMBL8526794 0.75 PKM (0.53) PKMKMT2AMEN1MAPTTDP1
SCHEMBL6717832 0.75 PDE4D (0.56) PKMKMT2AMEN1MAPTTDP1
SCHEMBL660605 0.74 MAPT (0.55) PKMKMT2AMEN1MAPTTDP1
SCHEMBL7625705 0.74 KMT2A (0.48) PKMKMT2AMEN1MAPTTDP1
SCHEMBL9726919 0.74 MAPT (0.58) PKMKMT2AMEN1MAPTTDP1
SCHEMBL6618245 0.73 CTSD (0.59) PKMKMT2AMEN1MAPTTDP1

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-112920075-A Amide compound, composition and application of amide compound and composition in preparation of products with antioxidant or anti-inflammatory effects 深圳海创生物科技有限公司 2021-06-08 CN disclosed