SCHEMBL6934823

SCHEMBL6934823

CCCc1c(OCCCOc2ccc(Sc3ccc(C(=O)O)cc3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.84
PPARG P37231 2/20 0.70
PPARD Q03181 2/20 0.70
PPARA Q07869 2/20 0.70
LMNA P02545 1/20 0.70
CYP1A2 P05177 1/20 0.70
MAPT P10636 1/20 0.70
CYP2C9 P11712 1/20 0.70
NFKB1 P19838 1/20 0.70
BLM P54132 1/20 0.70
CYSLTR1 Q9Y271 13/20 0.61
CYSLTR2 Q9NS75 12/20 0.61

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
SCHEMBL7805356 0.97 GRM2 (0.82) GRM2PPARGPPARDPPARALMNA
SCHEMBL10744397 0.94 GRM2 (0.95) GRM2PPARGPPARDPPARALMNA
SCHEMBL6244487 0.92 GRM2 (1.00) GRM2PPARGPPARDPPARALMNA
SCHEMBL6937167 0.91 GRM2 (0.69) GRM2PPARGPPARDPPARALMNA
SCHEMBL10741333 0.90 GRM2 (0.93) GRM2PPARGPPARDPPARALMNA
SCHEMBL6937166 0.89 GRM2 (0.72) GRM2PPARGPPARDPPARALMNA
SCHEMBL6937972 0.88 PPARG (0.71) GRM2PPARGPPARDPPARALMNA
SCHEMBL6935232 0.88 GRM2 (0.67) GRM2PPARGPPARDPPARALMNA
SCHEMBL9043028 0.85 GRM2 (0.80) GRM2PPARGPPARDPPARALMNA
SCHEMBL10958977 0.84 GRM2 (0.82) 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