SCHEMBL688090

SCHEMBL688090

CCCCCCCCCCCCCCCc1cccc(OC(=O)c2cc(N)cc(N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.56
PPARG P37231 5/20 0.56
ALOX5 P09917 1/20 0.54
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ACHE P22303 1/20 0.44
GGPS1 O95749 1/20 0.44
PLK1 P53350 1/20 0.44

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
SCHEMBL10067195 0.93 PPARA (0.52) PPARAPPARGALOX5CNR1CNR2
SCHEMBL10807628 0.86 PPARA (0.64) PPARAPPARGALOX5CNR1CNR2
SCHEMBL4179938 0.81 PPARA (0.62) PPARAPPARGCNR1CNR2GGPS1
SCHEMBL4180280 0.81 PPARA (0.58) PPARAPPARGCNR1CNR2
SCHEMBL646706 0.81 PPARA (0.64) PPARAPPARGCNR1CNR2ACHE
SCHEMBL29943880 0.81 PPARA (0.68) PPARAPPARGCNR1CNR2
SCHEMBL238313 0.81 PPARA (0.68) PPARAPPARGCNR1CNR2
SCHEMBL29914202 0.81 PPARA (0.68) PPARAPPARGCNR1CNR2
SCHEMBL688094 0.81 ALOX5 (0.83) PPARAPPARGALOX5
SCHEMBL4146552 0.81 PPARA (0.60) PPARAPPARGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
CN-101712821-B Phase change inks XEROX CORP 2014-08-27 CN disclosed
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP disclosed
CN-101712821-A Phase change inks XEROX CORP 2010-05-26 CN disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
EP-2169016-A1 Phase change inks Xerox Corporation (US) 2010-03-31 EP disclosed