SCHEMBL688080

SCHEMBL688080

CCCCCCCCCCCCCCCc1cccc(Oc2ccc(NC(=O)c3cc(N)cc(N)c3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.53
CETP P11597 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
BRAF P15056 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
MEN1 O00255 1/20 0.48
ADRB2 P07550 1/20 0.48
KMT2A Q03164 1/20 0.48
MTNR1A P48039 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
SCHEMBL689363 0.84 ALOX5 (0.55) PLK1MEN1KMT2A
SCHEMBL13065985 0.82 S1PR1 (0.59) PLK1PPARAS1PR4S1PR1S1PR3
SCHEMBL688099 0.79 ALDH1A1 (0.54) CETPPPARGPPARAMEN1KMT2A
SCHEMBL13400271 0.79 MAPK1 (0.62) HDAC1HDAC3BRAFHDAC4HDAC7
SCHEMBL11643294 0.78 MTNR1B (0.59) MTNR1AMTNR1B
SCHEMBL12540915 0.78 PGR (0.60) HDAC1HDAC3BRAFHDAC4HDAC7
SCHEMBL688090 0.78 PPARA (0.56) PLK1PPARGPPARA
SCHEMBL12167763 0.77 MMP13 (0.57) PLK1HDAC1MEN1KMT2APGR
SCHEMBL11643300 0.76 LTA4H (0.54) MTNR1AMTNR1BS1PR4S1PR1S1PR3
SCHEMBL27824726 0.76 MTNR1A (0.44) MEN1ADRB2KMT2AMTNR1AMTNR1B

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 7 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
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
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