SCHEMBL9502942

SCHEMBL9502942

CCC(C)(C)c1cc(CCCCCCC(C)C)cc(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 2/20 0.39
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
FUT7 Q11130 1/20 0.36
HMGB1 P09429 1/20 0.35
CXCL12 P48061 1/20 0.35
AKR1C2 P52895 2/20 0.34
AKR1C1 Q04828 2/20 0.34
PPARG P37231 1/20 0.34
RARB P10826 3/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
GAA P10253 2/20 0.33
PTPN1 P18031 1/20 0.32
ALOX5 P09917 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL9501729 0.95 GRIN2D (0.41) KAT8PPARAGRIN2DGRIN2AGRIN2B
SCHEMBL5885588 0.89 GAA (0.42) KAT8PPARAGRIN2DGRIN2AGRIN2B
Potassium Ion SCHEMBL8460425 0.88 FUT7 (0.38) KAT8GRIN2DGRIN2AGRIN2BGRIN2C
Zinc Ion SCHEMBL8462308 0.88 FUT7 (0.38) KAT8GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL8465111 0.88 FUT7 (0.40) KAT8GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9504235 0.83 GAA (0.44) KAT8GRIN2DGRIN2AGRIN2BGRIN2C
Zinc Ion SCHEMBL9502067 0.83 GRIN2D (0.34) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL8915510 0.82 KAT8 (0.39) KAT8PPARAGRIN2DGRIN2AGRIN2B
SCHEMBL14760846 0.80 PPARA (0.51) KAT8PPARAGRIN2DGRIN2AGRIN2B
SCHEMBL8916840 0.79 HMGB1 (0.58) KAT8PPARAGRIN2DGRIN2AGRIN2B

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-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP claimed