SCHEMBL882850

SCHEMBL882850

CC(C)(C)OC(=O)C1C=C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
NFKB1 P19838 5/20 0.36
NFKB2 Q00653 5/20 0.36
RELA Q04206 5/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DGAT1 O75907 1/20 0.36
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
RECQL P46063 2/20 0.31
GPR119 Q8TDV5 3/20 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
SCHEMBL13947270 0.92 MAPK1 (0.39) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL11438423 0.84 MAPK1 (0.39) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL2535414 0.75 MAPK1 (0.42) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL20224875 0.75 MAPK1 (0.39) MAPK1NFKB1NFKB2RELARECQL
SCHEMBL7991378 0.75 MAPK1 (0.35) MAPK1NFKB1NFKB2RELADGAT1
SCHEMBL7718520 0.75 PPM1B (0.37) MAPK1NFKB1NFKB2RELADGAT1
SCHEMBL7999872 0.75 POLB (0.46) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL1409756 0.75 ALDH1A1 (0.41) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL15645814 0.75 POLB (0.43) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL15414408 0.72 MAPK1 (0.34) MAPK1NFKB1NFKB2RELAHRH3

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
WO-2012040177-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2012-03-29 WO disclosed