SCHEMBL6576008

SCHEMBL6576008

C=Cc1cc(OC(C)C)ccc1CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.45
FFAR4 Q5NUL3 3/20 0.44
FFAR1 O14842 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PLA2G4A P47712 1/20 0.41
KMT2A Q03164 2/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
PTGDR Q13258 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL8619804 0.80 FFAR1 (0.55) POLBKDM4EFFAR4FFAR1ALDH1A1
SCHEMBL4262893 0.74 FFAR4 (0.53) KDM4EFFAR4FFAR1
SCHEMBL29216334 0.73 POLB (0.48) POLBKDM4EALDH1A1KMT2AJUN
SCHEMBL1206782 0.72 KDM4E (0.75) POLBKDM4EFFAR4FFAR1PLA2G4A
SCHEMBL925957 0.71 ALDH1A1 (0.44) KDM4EALDH1A1KMT2APTGDR
SCHEMBL12885255 0.71 ALDH1A1 (0.41) POLBKDM4EFFAR4ALDH1A1KMT2A
SCHEMBL6935704 0.71 ALDH1A1 (0.41) POLBKDM4EALDH1A1KMT2AJUN
SCHEMBL2962206 0.71 KEAP1 (0.48) KDM4EFFAR4FFAR1ALDH1A1KMT2A
SCHEMBL3025269 0.70 CYP2C19 (0.61) KDM4EALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL6932787 0.69 ALDH1A1 (0.40) POLBKDM4EFFAR4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313559-A4 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2004-02-04 EP disclosed
EP-1313559-A2 RECYCLABLE METATHESIS CATALYSTS Trustees of Boston College (US) 2003-05-28 EP disclosed
WO-2002014376-A2 RECYCLABLE METATHESIS CATALYSTS TRUSTEES OF BOSTON COLLEGE (US) 2002-02-21 WO disclosed