SCHEMBL8990151

SCHEMBL8990151

CCCCCCCCCC1C=CC=C(S(=O)(=O)O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.33
PPARG P37231 4/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR3 Q99500 1/20 0.32
GRM2 Q14416 1/20 0.31
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 1/20 0.30
BLM P54132 1/20 0.30
CES2 O00748 1/20 0.30
NFKB1 P19838 2/20 0.30
NFKB2 Q00653 2/20 0.30
RELA Q04206 2/20 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
SCHEMBL9325236 0.84 RECQL (0.42) DNTTRECQLGLAHPGDTSHR
SCHEMBL6210729 0.78 DNTT (0.36) DNTTPPARGPPARDPPARAGRM2
SCHEMBL6207650 0.78 DNTT (0.36) DNTTPPARGPPARDPPARAGRM2
SCHEMBL6208628 0.78 DNTT (0.36) DNTTPPARGPPARDPPARAGRM2
SCHEMBL6053252 0.78 DNTT (0.36) DNTTPPARGPPARDPPARAGRM2
SCHEMBL6209156 0.78 DNTT (0.36) DNTTPPARGPPARDPPARAGRM2
SCHEMBL6210762 0.78 DNTT (0.36) DNTTPPARGPPARDPPARAGRM2
SCHEMBL17748986 0.76 PRKCA (0.35) PPARGPPARDPPARAS1PR3TSHR
SCHEMBL17746174 0.76 PRKCA (0.35) PPARGPPARDPPARAS1PR3TSHR
SCHEMBL7752083 0.75 PPARG (0.38) DNTTPPARGPPARDPPARATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721300-A1 SUBSTANTIVE ANTIMICROBIAL PHOSPHATES THE PROCTER & GAMBLE COMPANY (US) 1996-07-17 EP disclosed
WO-1995008920-A1 SUBSTANTIVE ANTIMICROBIAL PHOSPHATES THE PROCTER & GAMBLE COMPANY (US) 1995-04-06 WO disclosed
EP-0601020-A1 DETERGENT COMPOSITIONS CONTAINING LIPASE AND TERPENE. PROCTER & GAMBLE (US) 1994-06-15 EP disclosed
WO-1993004158-A1 DETERGENT COMPOSITIONS CONTAINING LIPASE AND TERPENE THE PROCTER & GAMBLE COMPANY (US) 1993-03-04 WO disclosed