SCHEMBL888295

SCHEMBL888295

CCOCC(C)(C(=O)OCC)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ALDH1A1 P00352 4/20 0.37
PKM P14618 3/20 0.37
MMP8 P22894 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL888642 0.83 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL17617164 0.80 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL17617200 0.80 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL10683329 0.80 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL820037 0.79 ALOX15 (0.39) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL28427982 0.78 MMP8 (0.47) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL18782767 0.78 CYP4F2 (0.34) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL31753 0.77 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL22137311 0.77 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL819147 0.77 ALDH1A1 (0.31) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190464-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed