SCHEMBL15614802

SCHEMBL15614802

C/C(=C\c1ccccc1O)C(=O)Oc1coc(CO)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.43
KDM4E B2RXH2 1/20 0.43
TYR P14679 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ELANE P08246 4/20 0.40
APP P05067 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 1/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL15614798 0.88 RAB9A (0.41) DAOKDM4ETYRRAB9ANPC1
SCHEMBL15614795 0.88 RAB9A (0.44) DAOKDM4ETYRRAB9ANPC1
SCHEMBL15614799 0.82 RAB9A (0.42) DAOKDM4ETYRRAB9ANPC1
SCHEMBL15614800 0.80 MAPT (0.53) DAOKDM4ETYRRAB9ANPC1
SCHEMBL15614794 0.78 DAO (0.39) DAOKDM4ETYRRAB9ANPC1
SCHEMBL15614812 0.78 DAO (0.37) DAOKDM4ETYRRAB9ANPC1
SCHEMBL15578890 0.78 DAO (0.37) DAOKDM4ETYRRAB9ANPC1
SCHEMBL124774 0.73 RAB9A (0.54) DAOKDM4ETYRRAB9ANPC1
SCHEMBL942730 0.71 ELANE (0.57) DAOKDM4ERAB9ANPC1CYP1A2
SCHEMBL28967686 0.70 TUBB1 (0.53) CYP1A2KMT2AMEN1APPMAPT

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