SCHEMBL1401950

SCHEMBL1401950

CCCCCCCc1c(C)ccc(C(=O)O)c1CCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.54
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.48
KAT8 Q9H7Z6 2/20 0.48
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
PLK1 P53350 5/20 0.45
PLK3 Q9H4B4 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41

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
SCHEMBL9246452 0.90 PPARA (0.55) RARBPPARAPPARGKAT8RARA
SCHEMBL2807994 0.90 RARB (0.54) RARBPPARAPPARGKAT8RARA
SCHEMBL14989305 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA
SCHEMBL3662660 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA
SCHEMBL14836443 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA
SCHEMBL6443257 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA
SCHEMBL14836066 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA
SCHEMBL6864045 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA
SCHEMBL93465 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA
SCHEMBL17995610 0.90 PPARA (0.60) RARBPPARAPPARGKAT8RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068439-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA North aAmerica S.ar.I (US) 2010-03-18 US claimed
WO-2008095071-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA TECHNOLOGIES S.AR.L. (CH) 2008-08-07 WO claimed
EP-3260920-A1 TONER COMPOSITIONS WITH ANTIPLASTICIZERS Xerox Corporation (US) 2017-12-27 EP disclosed
US-9684257-B1 Toner compositions with antiplasticizers XEROX CORPORATION (US) 2017-06-20 US disclosed
EP-2291347-A2 MANUFACTURE AND USE OF ALKYL P-TOLUATES Invista Technologies S.à.r.l. (CH) 2011-03-09 EP disclosed
US-20100068439-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA North aAmerica S.ar.I (US) 2010-03-18 US disclosed
WO-2009137775-A2 MANUFACTURE AND USE OF ALKYL P-TOLUATES INVISTA TECHNOLOGIES S.A R.L. (CH) 2009-11-12 WO disclosed
WO-2008095071-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA TECHNOLOGIES S.AR.L. (CH) 2008-08-07 WO disclosed