SCHEMBL8101632

SCHEMBL8101632

CCC(C)C1(OC(=O)/C=C/C(=O)O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.41
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8101634 1.00 HCAR2 (0.41) HCAR2ALDH1A1GAA
SCHEMBL8101656 0.98 HCAR2 (0.40) HCAR2ALDH1A1GAA
SCHEMBL8101652 0.98 HCAR2 (0.40) HCAR2ALDH1A1GAA
SCHEMBL8101630 0.94
SCHEMBL8101650 0.92 PPARA (0.30)
SCHEMBL8101261 0.88 HCAR2 (0.40) HCAR2ALDH1A1GAA
SCHEMBL15355451 0.87 HCAR2 (0.39) HCAR2ALDH1A1GAA
SCHEMBL8106028 0.83 HCAR2 (0.46) HCAR2ALDH1A1GAA
SCHEMBL8106033 0.83 HCAR2 (0.46) HCAR2ALDH1A1GAA
SCHEMBL8092318 0.82 HCAR2 (0.44) HCAR2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006130-A1 Fumaric acid diester resin composition, cross-linked fumaric acid diester resin and process NOF CORPORATION (JP) 2000-06-07 EP disclosed