SCHEMBL9901378

SCHEMBL9901378

FC(F)(F)c1cc(Oc2ccc(CCCl)cc2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
PLA2G7 Q13093 8/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
AR P10275 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.40
CHEK2 O96017 2/20 0.40
KDR P35968 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL9106976 0.88 IDO1 (0.49) IDO1PLA2G7PPARGPPARARAF1
SCHEMBL875588 0.88 IDO1 (0.51) IDO1PLA2G7PPARGPPARARAF1
SCHEMBL17226673 0.87 IDO1 (0.48) IDO1PLA2G7PPARGPPARARAF1
SCHEMBL9905577 0.87 PLA2G7 (0.48) IDO1PLA2G7PPARGPPARARAF1
SCHEMBL29918301 0.87 IDO1 (0.48) IDO1PLA2G7PPARGPPARARAF1
SCHEMBL9105104 0.87 IDO1 (0.51) IDO1PLA2G7RAF1BRAFAR
SCHEMBL9107327 0.87 IDO1 (0.51) IDO1PLA2G7RAF1BRAFAR
SCHEMBL875568 0.87 IDO1 (0.48) IDO1PLA2G7PPARGPPARARAF1
SCHEMBL18235653 0.84 PLA2G7 (0.46) IDO1PLA2G7PPARGPPARARAF1
SCHEMBL17884158 0.83 IDO1 (0.50) IDO1PLA2G7PPARGPPARARAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed