SCHEMBL688077

SCHEMBL688077

CCCCCCCCCCCCCCCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
PPARA Q07869 5/20 0.51
PPARG P37231 4/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 1/20 0.50
FFAR1 O14842 1/20 0.50
ALOX5 P09917 1/20 0.49
MGLL Q99685 2/20 0.47
FAAH O00519 1/20 0.47
CETP P11597 1/20 0.46

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
SCHEMBL10668211 0.86 KCNH2 (0.66) ALDH1A1KCNH2MGLLFAAH
SCHEMBL688934 0.84 ALDH1A1 (0.56) ALDH1A1PPARAPPARGKDM4EALOX5
SCHEMBL27830388 0.83 PPARA (0.63) PPARAPPARGCETP
SCHEMBL176242 0.83 PPARA (0.63) PPARAPPARGCETP
SCHEMBL29693068 0.83 PPARA (0.63) PPARAPPARGCETP
SCHEMBL9819438 0.83 PPARA (0.63) PPARAPPARGCETP
SCHEMBL28547948 0.83 PPARA (0.63) PPARAPPARGCETP
SCHEMBL689363 0.82 ALOX5 (0.55) ALDH1A1FFAR1ALOX5
SCHEMBL23085167 0.82 PPARA (0.62) PPARAPPARGCETP
SCHEMBL29959530 0.82 PPARA (0.62) PPARAPPARGCETP

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 5 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
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP 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