SCHEMBL6231392

SCHEMBL6231392

CCCc1c(O)c(OC(=O)O)cc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
ALOX5 P09917 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
HMGCR P04035 2/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
CYSLTR2 Q9NS75 3/20 0.32
CYSLTR1 Q9Y271 3/20 0.32
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
ANTXR2 P58335 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PPARG P37231 1/20 0.31
BLM P54132 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL6233333 0.91 ALOX5 (0.41) ALOX5HCAR2LTB4RLTB4R2
SCHEMBL5588399 0.91 LDHA (0.38) LDHALDHBALOX5HCAR2HMGCR
SCHEMBL5587475 0.82 ALOX5 (0.43) ALOX5HCAR2LTB4RLTB4R2
SCHEMBL5588845 0.81 ALOX5 (0.49) ALOX5HCAR2PPARGPPARDPPARA
SCHEMBL6230820 0.80 CYP1A2 (0.36) LDHALDHBCYSLTR2CYSLTR1LMNA
SCHEMBL5588734 0.80 POLB (0.33) ALOX5POLBPOLA1ANTXR2LMNA
SCHEMBL5589714 0.79 ALOX5 (0.51) ALOX5HCAR2PPARGPPARA
SCHEMBL5589440 0.79 ALOX5 (0.51) ALOX5HCAR2PPARGPPARA
SCHEMBL5588670 0.79 ALOX5 (0.51) ALOX5HCAR2PPARGPPARA
SCHEMBL5587274 0.79 ALOX5 (0.51) ALOX5HCAR2PPARGPPARA

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