SCHEMBL8106033

SCHEMBL8106033

CC(C)C1(OC(=O)C=CC(=O)O)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.46
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31

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
SCHEMBL8106028 1.00 HCAR2 (0.46) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL8092318 0.98 HCAR2 (0.44) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL8102013 0.98 HCAR2 (0.44) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL15355483 0.96 HCAR2 (0.46) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL15355484 0.96 HCAR2 (0.46) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL8106024 0.93 HCAR2 (0.33) HCAR2
SCHEMBL8102011 0.91 HCAR2 (0.32) HCAR2
SCHEMBL15355482 0.89 HCAR2 (0.33) HCAR2
SCHEMBL4155990 0.83 HCAR2 (0.41) HCAR2ALDH1A1GAA
SCHEMBL4155992 0.83 HCAR2 (0.41) 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