SCHEMBL9955366

SCHEMBL9955366

CCCCCCc1cc(CCCCCC)c(O)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.61
PPARA Q07869 2/20 0.57
PTGS2 P35354 6/20 0.50
PPARG P37231 1/20 0.50
RARB P10826 3/20 0.49
RARA P10276 1/20 0.49
RARG P13631 1/20 0.49
ALOX5 P09917 3/20 0.48
CYP3A4 P08684 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 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
SCHEMBL7780121 1.00 KAT8 (0.61) KAT8PPARAPTGS2PPARGRARB
SCHEMBL9303706 1.00 KAT8 (0.61) KAT8PPARAPTGS2PPARGRARB
SCHEMBL3220998 1.00 KAT8 (0.61) KAT8PPARAPTGS2PPARGRARB
SCHEMBL26910495 0.98 KAT8 (0.60) KAT8PPARAPTGS2PPARGRARB
SCHEMBL8592073 0.98 KAT8 (0.60) KAT8PPARAPTGS2PPARGRARB
SCHEMBL8981485 0.98 KAT8 (0.59) KAT8PPARAPTGS2PPARGRARB
SCHEMBL211842 0.94 KAT8 (0.53) KAT8PPARAPTGS2PPARGRARB
SCHEMBL9501935 0.92 KAT8 (0.56) KAT8PPARAPTGS2PPARGRARB
SCHEMBL9251667 0.92 KAT8 (0.56) KAT8PPARAPTGS2PPARGRARB
SCHEMBL11477238 0.92 KAT8 (0.51) KAT8PPARAPTGS2PPARGRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034549-B2 Toner CANON KABUSHIKI KAISHA (JP) 2015-05-19 US disclosed
US-9034549-B2 Toner CANON KABUSHIKI KAISHA (JP) 2015-05-19 US disclosed
US-20130288174-A1 TONER CANON KABUSHIKI KAISHA (JP) 2013-10-31 US disclosed
US-20130288174-A1 TONER CANON KABUSHIKI KAISHA (JP) 2013-10-31 US disclosed
WO-2012086524-A1 TONER CANON KABUSHIKI KAISHA (JP) 2012-06-28 WO disclosed
WO-2012086524-A1 TONER CANON KABUSHIKI KAISHA (JP) 2012-06-28 WO disclosed