SCHEMBL6234840

SCHEMBL6234840

CCCCc1c(OC)ccc(OC(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.47
PTGS2 P35354 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMPD3 Q9NY59 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
APLNR P35414 1/20 0.39
PPARD Q03181 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6232359 0.91 MAPT (0.40) ALOX5PPARAPPARGPPARDLMNA
SCHEMBL6230577 0.87 CYP1A2 (0.40) PPARAPPARGNCEH1PPARDLMNA
SCHEMBL5678240 0.86 NCEH1 (0.40) ALOX5PPARAPPARGKDM4ENCEH1
SCHEMBL6230641 0.85 CYP1A2 (0.44) PPARAPPARGPPARDLMNATSHR
SCHEMBL5586648 0.85 TYR (0.40) ALOX5PTGS2PPARAPPARGNCEH1
SCHEMBL5680557 0.85 NCEH1 (0.39) ALOX5PTGS2PPARAPPARGKDM4E
SCHEMBL5921668 0.84 NCEH1 (0.39) ALOX5KDM4ENCEH1ALDH1A1LMNA
SCHEMBL6232752 0.84 ALOX5 (0.39) ALOX5KDM4ENCEH1ALDH1A1HPGD
SCHEMBL6232728 0.84 AKR1C2 (0.39) ALOX5PPARAPPARGKDM4ENCEH1
SCHEMBL5676413 0.84 PRKCI (0.39) ALOX5PPARAPPARGNCEH1PPARD

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