SCHEMBL9504163

SCHEMBL9504163

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRA6 Q16445 1/20 0.43
TRPA1 O75762 1/20 0.40
HMGB1 P09429 1/20 0.40
CXCL12 P48061 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KAT8 Q9H7Z6 2/20 0.38
GSR P00390 1/20 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
SCHEMBL9308594 0.93 KAT8 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
SCHEMBL8915502 0.93 KAT8 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
SCHEMBL9502992 0.86 GRIN2D (0.43) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
Zinc Ion SCHEMBL9504154 0.84 GABRA1 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
SCHEMBL9700901 0.84 GRIN2D (0.46) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
SCHEMBL9500885 0.84 KAT8 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
SCHEMBL15523841 0.84 GRIN2D (0.48) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
SCHEMBL9500669 0.82 GRIN2D (0.47) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
SCHEMBL9501685 0.81 KAT8 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CHMGB1
Zinc Ion SCHEMBL9501655 0.80 FUT7 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1

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 3 patents. 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 disclosed
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
EP-0318941-A2 Developer for pressure-sensitive recording sheets, aqueous dispersion of the developer and method for preparing the developer Sanko Kaihatsu Kagaku Kenkyusho (JP) 1989-06-07 EP disclosed