SCHEMBL888351

SCHEMBL888351

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MMP8 P22894 1/20 0.32
CPB2 Q96IY4 1/20 0.31
TRPA1 O75762 1/20 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
SCHEMBL888441 0.87 TSHR (0.37) ALDH1A1TSHRLMNATHRBMGAM
SCHEMBL888625 0.86 ALDH1A1 (0.36) ALDH1A1TSHRCYP4F2CYP4A11LMNA
SCHEMBL820522 0.84 ALDH1A1 (0.37) ALDH1A1TSHRCYP4F2CYP4A11LMNA
SCHEMBL818511 0.81 ALDH1A1 (0.34) ALDH1A1TSHRCYP4F2CYP4A11LMNA
SCHEMBL819280 0.81 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL888627 0.79 MMP8 (0.34) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL5008256 0.78 ALDH1A1 (0.36) ALDH1A1TSHRCYP4F2CYP4A11LMNA
SCHEMBL20995942 0.76 HSD17B10 (0.41) ALDH1A1TSHRCYP4F2CYP4A11LMNA
SCHEMBL20995898 0.76 ALDH1A1 (0.35) ALDH1A1TSHRLMNAHSD17B10THRB
SCHEMBL888534 0.75 CYP4F2 (0.37) ALDH1A1CYP4F2CYP4A11THRBCPB2

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