SCHEMBL15614809

SCHEMBL15614809

Nc1cc2c(cc1/C=C/C(=O)Oc1coc(CO)cc1=O)OCO2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
DAO P14920 3/20 0.38
KDM4E B2RXH2 5/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYR P14679 1/20 0.35
ELANE P08246 1/20 0.34
MAOB P27338 1/20 0.32

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
SCHEMBL15614801 0.88 KMT2A (0.43) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15614811 0.83 KDM4E (0.47) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15614810 0.83 KMT2A (0.53) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15614812 0.82 DAO (0.37) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15578890 0.82 DAO (0.37) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15614813 0.81 KMT2A (0.46) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15614800 0.77 MAPT (0.53) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15614803 0.74 KMT2A (0.48) KMT2AMAPTDAOKDM4EPPARG
SCHEMBL4237894 0.74 KMT2A (0.69) KMT2AMAPTDAOKDM4EGAA
SCHEMBL15614796 0.73 PPARG (0.50) KMT2AMAPTDAOKDM4EGAA

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-2014041362-A1 UV RADIATION CLEAVABLE COMPOUNDS UNIVERSITY OF BATH (GB) 2014-03-20 WO disclosed