SCHEMBL6935044

SCHEMBL6935044

CCCc1c(OCCCOc2cccc(Sc3ccccc3C(=O)O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.66
CYSLTR1 Q9Y271 13/20 0.66
PPARG P37231 2/20 0.57
PPARD Q03181 2/20 0.57
PPARA Q07869 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
BLM P54132 1/20 0.57
GRM2 Q14416 1/20 0.57
PDE5A O76074 1/20 0.51
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50

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
SCHEMBL6937167 0.86 GRM2 (0.69) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6937166 0.85 GRM2 (0.72) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6935232 0.84 GRM2 (0.67) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10741151 0.82 CYSLTR1 (0.77) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6938089 0.82 GRM2 (0.60) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10742441 0.80 PPARG (0.67) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6932146 0.80 PPARG (0.65) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL11041789 0.80 GRM2 (0.72) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL11045881 0.80 CYSLTR2 (0.67) CYSLTR2CYSLTR1PPARGPPARDPPARA
Propionic Acid SCHEMBL11043565 0.80 PPARG (0.79) CYSLTR2CYSLTR1PPARGPPARDPPARA

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-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed