SCHEMBL888551

SCHEMBL888551

COCC(CC(C)C)(C(=O)OC)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 3/20 0.34
EPHX2 P34913 2/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
MMP8 P22894 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MMP1 P03956 1/20 0.31
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 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
SCHEMBL888521 0.98 NPSR1 (0.33) NPSR1EPHX1EPHX2MMP8SMN1; SMN2
SCHEMBL888462 0.88 MMP8 (0.39) NPSR1MMP8SMN1; SMN2TSHR
SCHEMBL888315 0.87 MMP8 (0.40) MMP8
SCHEMBL888496 0.86 NPSR1 (0.32) NPSR1EPHX1
SCHEMBL888303 0.84
SCHEMBL3820519 0.83 CCR2 (0.35) NPSR1EPHX1MMP2MMP8SMN1; SMN2
SCHEMBL16732353 0.77 EPHX1 (0.38) NPSR1EPHX1EPHX2CA12CA1
SCHEMBL888266 0.77 MMP8 (0.39) NPSR1MMP8SMN1; SMN2TSHR
SCHEMBL16732029 0.75 EPHX1 (0.35) NPSR1EPHX1EPHX2CA12CA1
SCHEMBL888473 0.75 MMP8 (0.40) MMP8

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