SCHEMBL6934360

SCHEMBL6934360

CCCc1c(OCCCCOc2ccc(Sc3ccccc3CC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.62
PPARG P37231 3/20 0.62
PPARD Q03181 3/20 0.62
PPARA Q07869 3/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
NFKB1 P19838 1/20 0.62
BLM P54132 1/20 0.62
CYSLTR2 Q9NS75 11/20 0.58
CYSLTR1 Q9Y271 11/20 0.58

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
SCHEMBL6932146 0.98 PPARG (0.65) GRM2PPARGPPARDPPARALMNA
SCHEMBL6937972 0.84 PPARG (0.71) GRM2PPARGPPARDPPARALMNA
SCHEMBL6244980 0.82 GRM2 (0.76) GRM2PPARGPPARDPPARALMNA
SCHEMBL6934823 0.80 GRM2 (0.84) GRM2PPARGPPARDPPARALMNA
SCHEMBL3894010 0.80 PPARG (0.80) GRM2PPARGPPARDPPARALMNA
Propionic Acid SCHEMBL11043565 0.80 PPARG (0.79) GRM2PPARGPPARDPPARALMNA
SCHEMBL7805356 0.79 GRM2 (0.82) GRM2PPARGPPARDPPARALMNA
SCHEMBL11021141 0.79 PPARG (0.75) GRM2PPARGPPARDPPARALMNA
SCHEMBL6935044 0.79 CYSLTR2 (0.66) GRM2PPARGPPARDPPARALMNA
SCHEMBL3174212 0.78 PPARG (0.45) GRM2PPARGPPARDPPARALMNA

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