SCHEMBL1401949

SCHEMBL1401949

CCCCCCC(CCC)c1cc(C)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.46
PDE5A O76074 1/20 0.46
PLK3 Q9H4B4 2/20 0.44
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RARB P10826 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 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
SCHEMBL2807990 0.90 PDE5A (0.47) PLK1PDE5APLK3PPARAALDH1A1
SCHEMBL20724876 0.85 ALDH1A1 (0.47) PPARAALDH1A1CYSLTR2CYSLTR1
SCHEMBL129098 0.83 PPARA (0.48) PPARAALDH1A1RARBCYSLTR2CYSLTR1
SCHEMBL17995599 0.83 PTPN11 (0.48) PPARAALDH1A1RARB
SCHEMBL5179731 0.83 PPARA (0.48) PPARAALDH1A1RARBCYSLTR2CYSLTR1
SCHEMBL18040357 0.82 PTPN11 (0.47) PPARAALDH1A1RARB
SCHEMBL10893782 0.81 ALDH1A1 (0.55) PLK1PLK3ALDH1A1CYSLTR2CYSLTR1
SCHEMBL8081135 0.81 ALDH1A1 (0.55) PLK1PLK3ALDH1A1CYSLTR2CYSLTR1
SCHEMBL8084788 0.81 ALDH1A1 (0.55) PLK1PLK3ALDH1A1CYSLTR2CYSLTR1
SCHEMBL8080311 0.81 ALDH1A1 (0.55) PLK1PLK3ALDH1A1CYSLTR2CYSLTR1

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