SCHEMBL6436228

SCHEMBL6436228

CCCCOO[C@](CC)(CCCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
S1PR4 O95977 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 1/20 0.31
TP53 P04637 1/20 0.30
PAM P19021 2/20 0.30

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
SCHEMBL321438 1.00 ALDH1A1 (0.35) ALDH1A1HCAR2ATMTSHRHPGD
SCHEMBL474829 0.95 LPAR3 (0.35) HCAR2TSHRS1PR4S1PR1S1PR3
SCHEMBL2777777 0.93 LPAR3 (0.38) HCAR2TSHRPAM
SCHEMBL5695529 0.93 ALDH1A1 (0.35) ALDH1A1HCAR2ATMTSHRHPGD
SCHEMBL4201195 0.91 ALDH1A1 (0.39) ALDH1A1HCAR2ATMTSHRHPGD
SCHEMBL6457999 0.89 ALDH1A1 (0.35) ALDH1A1HCAR2ATMTSHRHPGD
SCHEMBL492214 0.85 ALOX5 (0.32) PPARG
SCHEMBL17501909 0.84 LPAR3 (0.41) ALDH1A1HCAR2TSHRPPARGPPARD
SCHEMBL1019151 0.82 S1PR4 (0.33) ALDH1A1HCAR2TSHRS1PR4S1PR1
SCHEMBL31314443 0.82 S1PR4 (0.33) ALDH1A1S1PR4S1PR1S1PR3S1PR5

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-1543062-A1 A GEMINALLY DISUBSTITUTED OLEFIN-CARBON MONOXIDE-ETHYLENE POLYMER USEFUL AS A POLYVINYL CHLORIDE PLASTICIZER AND A METHOD OF MAKING THE SAME ExxonMobil Research and Engineering Company (US) 2005-06-22 EP disclosed
WO-2004020500-A1 A GEMINALLY DISUBSTITUTED OLEFIN-CARBON MONOXIDE-ETHYLENE POLYMER USEFUL AS A POLYVINYL CHLORIDE PLASTICIZER AND A METHOD OF MAKING THE SAME EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2004-03-11 WO disclosed