SCHEMBL689363

SCHEMBL689363

CCCCCCCCCCCCCCCc1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
FFAR1 O14842 2/20 0.53
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.47
HTT P42858 2/20 0.47
PLK1 P53350 1/20 0.47
THRA P10827 1/20 0.47

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
SCHEMBL688080 0.84 PLK1 (0.53) MEN1KMT2APLK1
SCHEMBL688077 0.82 ALDH1A1 (0.53) ALOX5FFAR1ALDH1A1
SCHEMBL13400270 0.80 ALOX5 (0.70) ALOX5CRHBPCRHR2FFAR1LMNA
SCHEMBL688094 0.79 ALOX5 (0.83) ALOX5MAPTALDH1A1PKM
SCHEMBL12167763 0.74 MMP13 (0.57) FFAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL12338884 0.74 MEN1 (0.83) ALOX5CRHBPCRHR2FFAR1LMNA
SCHEMBL31315570 0.73 FFAR1 (0.80) ALOX5CRHBPCRHR2FFAR1LMNA
SCHEMBL27676573 0.73 FFAR1 (0.80) ALOX5CRHBPCRHR2FFAR1LMNA
SCHEMBL11643294 0.73 MTNR1B (0.59) MAPTALDH1A1
SCHEMBL28356085 0.72 PPARA (0.60)

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