SCHEMBL15614813

SCHEMBL15614813

Nc1cc(O)ccc1/C=C/C(=O)Oc1coc(CO)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
DAO P14920 3/20 0.41
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TYR P14679 1/20 0.39
ELANE P08246 3/20 0.37
APP P05067 1/20 0.35

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
SCHEMBL15614803 0.89 KMT2A (0.48) KMT2AMAPTPPARGPPARARAB9A
SCHEMBL15614810 0.87 KMT2A (0.53) KMT2AMAPTPPARGPPARARAB9A
SCHEMBL15614811 0.83 KDM4E (0.47) KMT2AMAPTPPARGPPARARAB9A
SCHEMBL15614800 0.81 MAPT (0.53) KMT2AMAPTPPARGPPARARAB9A
SCHEMBL15614809 0.81 KMT2A (0.43) KMT2AMAPTPPARGPPARARAB9A
SCHEMBL15614799 0.81 RAB9A (0.42) KMT2APPARGPPARARAB9ANPC1
SCHEMBL4237894 0.78 KMT2A (0.69) KMT2AMAPTRAB9ANPC1CYP1A2
SCHEMBL15614796 0.77 PPARG (0.50) KMT2AMAPTPPARGPPARARAB9A
SCHEMBL15614801 0.75 KMT2A (0.43) KMT2AMAPTPPARGPPARARAB9A
SCHEMBL15614795 0.72 RAB9A (0.44) KMT2APPARGPPARARAB9ANPC1

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