SCHEMBL9504239

SCHEMBL9504239

CCCCc1cc(CCCC(C)C)cc(C(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
KAT8 Q9H7Z6 2/20 0.45
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
PPARA Q07869 2/20 0.42
ALOX5 P09917 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL9500769 0.96 KAT8 (0.50) AKR1C2AKR1C1KAT8GRIN2DGRIN2A
SCHEMBL9500757 0.95 KAT8 (0.52) AKR1C2AKR1C1KAT8GRIN2DGRIN2A
SCHEMBL9500669 0.94 GRIN2D (0.47) AKR1C2AKR1C1KAT8GRIN2DGRIN2A
SCHEMBL9700901 0.93 GRIN2D (0.46) AKR1C2AKR1C1KAT8GRIN2DGRIN2A
SCHEMBL211842 0.90 KAT8 (0.53) AKR1C2AKR1C1KAT8PPARAGABRP
SCHEMBL3782487 0.89 KAT8 (0.43) AKR1C2AKR1C1KAT8GRIN2DGRIN2A
SCHEMBL3776599 0.89 KAT8 (0.43) AKR1C2AKR1C1KAT8GRIN2DGRIN2A
SCHEMBL11478526 0.89 KAT8 (0.51) AKR1C2AKR1C1KAT8PPARAGABRP
SCHEMBL9133047 0.89 KAT8 (0.51) AKR1C2AKR1C1KAT8PPARAGABRP
SCHEMBL11477241 0.89 KAT8 (0.51) AKR1C2AKR1C1KAT8PPARAGABRP

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 5 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 claimed
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 claimed
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