SCHEMBL15614799

SCHEMBL15614799

C/C(=C\c1ccc(O)cc1N)C(=O)Oc1coc(CO)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
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
DAO P14920 4/20 0.40
ELANE P08246 8/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TYR P14679 1/20 0.37
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL15614795 0.89 RAB9A (0.44) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15614798 0.87 RAB9A (0.41) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15614794 0.84 DAO (0.39) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15614802 0.82 DAO (0.43) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15614812 0.82 DAO (0.37) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15578890 0.82 DAO (0.37) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15614813 0.81 KMT2A (0.46) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15614803 0.72 KMT2A (0.48) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL124774 0.71 RAB9A (0.54) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL15577378 0.70 ELANE (0.39) ELANE

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