SCHEMBL7983115

SCHEMBL7983115

CC(C)c1ccc(OO)c(OO)c1C(C)C.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 2/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2B P41595 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
FAAH O00519 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL29494156 0.98 CA1 (0.34) CA1CA2CA7CA9LMNA
SCHEMBL99127 0.98 CA1 (0.34) CA1CA2CA7CA9LMNA
SCHEMBL1877670 0.82 CA1 (0.34) CA1CA2CA7CA9LMNA
SCHEMBL51043 0.82 CA1 (0.40) CA1CA2CA7CA9LMNA
SCHEMBL50886 0.77 CA1 (0.33) CA1CA2CA7CA9LMNA
SCHEMBL8612839 0.74 CA1 (0.31) CA1CA2
SCHEMBL461156 0.74 GABRA1 (0.40) CA1CA2CA7CA9LMNA
SCHEMBL11811124 0.74 NCEH1 (0.33)
SCHEMBL9470137 0.73
SCHEMBL11692058 0.73 TSHR (0.39) LMNATSHR

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
US-6274668-B1 USING REDOX COMPOUNDS; REDUCING VOLATILITY ORGANIC COMPOUNDS ELF ATOCHEM ITALIA S.R.L. (IT) 2001-08-14 US disclosed
US-6093675-A REDOX COUPLE FORMING AQUEOUS EMULSIONS HAVING LOW CONTENT OF VOLATILE ORGANIC COMPOUNDS AND OF RESIDUAL MONOMERS ELF ATOCHEM ITALIA S.R.L. (IT) 2000-07-25 US disclosed
EP-0767180-B1 Low VOC emulsion ATOCHEM ELF ITALIA (IT) 1999-06-02 EP disclosed
US-5721310-A COUPLING THE UNREACTED MONOMERS WITH A REDUCING AGENT AND AN OXIDIZING AGENT ELF ATOCHEM ITALIA S.R.L. (IT) 1998-02-24 US disclosed
EP-0767180-A1 Low VOC emulsion ELF ATOCHEM ITALIA S.r.l. (IT) 1997-04-09 EP disclosed