SCHEMBL688094

SCHEMBL688094

CCCCCCCCCCCCCCCc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.83
PPARA Q07869 7/20 0.52
PPARG P37231 5/20 0.52
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.46
F2 P00734 1/20 0.46
PTGES O14684 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
SCHEMBL28807217 0.91 ALOX5 (1.00) ALOX5ALDH1A1MAPTPKMF2
SCHEMBL10807628 0.82 PPARA (0.64) ALOX5PPARAPPARG
SCHEMBL688090 0.81 PPARA (0.56) ALOX5PPARAPPARG
SCHEMBL689363 0.79 ALOX5 (0.55) ALOX5ALDH1A1MAPTPKM
SCHEMBL4180280 0.78 PPARA (0.58) PPARAPPARGMAPT
SCHEMBL4179938 0.78 PPARA (0.62) PPARAPPARG
SCHEMBL29943880 0.77 PPARA (0.68) PPARAPPARG
SCHEMBL29914202 0.77 PPARA (0.68) PPARAPPARG
SCHEMBL238313 0.77 PPARA (0.68) PPARAPPARG
SCHEMBL10067195 0.77 PPARA (0.52) ALOX5PPARAPPARG

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