SCHEMBL6232644

SCHEMBL6232644

CCCc1c(Br)ccc(OC(=O)O)c1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
GRM2 Q14416 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
CYSLTR2 Q9NS75 6/20 0.36
CYSLTR1 Q9Y271 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35

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
SCHEMBL5921668 0.91 NCEH1 (0.39) LMNANCEH1L3MBTL1
SCHEMBL5680670 0.83 CYP1A2 (0.40) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL6232359 0.83 MAPT (0.40) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL5588622 0.83 PRKCI (0.41) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL5587875 0.83 LDHA (0.41) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL5587509 0.82 CYP1A2 (0.38) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL6233685 0.81 PPARG (0.37) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL6230820 0.81 CYP1A2 (0.36) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL6233270 0.81 CYP1A2 (0.44) LMNAPPARGPPARDPPARACYP1A2
SCHEMBL5587163 0.81 TSHR (0.37) LMNAPPARGPPARDPPARACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed