SCHEMBL9504235

SCHEMBL9504235

CC(C)CCCc1cc(C(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.39
HMGB1 P09429 1/20 0.39
CXCL12 P48061 1/20 0.39
HMGCR P04035 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 2/20 0.37
HIF1A Q16665 2/20 0.37

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
SCHEMBL5885588 0.95 GAA (0.42) GAAGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9501729 0.88 GRIN2D (0.41) GAAGRIN2DGRIN2AGRIN2BGRIN2C
Zinc Ion SCHEMBL9504196 0.86 GAA (0.42) GAAGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9502942 0.83 KAT8 (0.41) GAAGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL15523841 0.82 GRIN2D (0.48) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
SCHEMBL8464681 0.82 FUT7 (0.42) GAAGRIN2DGRIN2AGRIN2BGRIN2C
Zinc Ion SCHEMBL8464685 0.82 GAA (0.41) GAAGRIN2DGRIN2AGRIN2BGRIN2C
Potassium Ion SCHEMBL8465183 0.82 GAA (0.41) GAAGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9500669 0.81 GRIN2D (0.47) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
SCHEMBL8915510 0.80 KAT8 (0.39) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A

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