SCHEMBL9700901

SCHEMBL9700901

CC(C)CCCc1cc(CCCC(C)C)c(O)c(C(=O)O)c1.[Zn]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
ALOX5 P09917 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
PTPN1 P18031 6/20 0.43
PTPN2 P17706 3/20 0.43
PTPN6 P29350 3/20 0.43
HMGB1 P09429 2/20 0.41
CXCL12 P48061 1/20 0.41
KAT8 Q9H7Z6 2/20 0.38
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARA Q07869 1/20 0.35

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
SCHEMBL9500669 0.98 GRIN2D (0.47) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL9504239 0.93 AKR1C2 (0.45) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL3782487 0.93 KAT8 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL3776599 0.93 KAT8 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL9500769 0.92 KAT8 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL9500757 0.91 KAT8 (0.52) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL15524879 0.85 GRIN2D (0.41) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL15523841 0.85 GRIN2D (0.48) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL9502088 0.85 KAT8 (0.42) GRIN2DGRIN2AGRIN2BGRIN2CALOX5
SCHEMBL9305388 0.85 KAT8 (0.42) GRIN2DGRIN2AGRIN2BGRIN2CALOX5

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
US-5118443-A DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1992-06-02 US disclosed