SCHEMBL888545

SCHEMBL888545

CCOC(=O)CCC1C2CC3CC(C2)CC1(OC)C3

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.42
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL888631 0.89 EPHX2 (0.42) EPHX2LMNAALDH1A1USP2ALOX15
SCHEMBL888270 0.87 EPHX2 (0.43) EPHX2ALDH1A1
SCHEMBL888522 0.83 EPHX2 (0.39) EPHX2LMNAALDH1A1USP2ALOX15
SCHEMBL820117 0.82 EPHX2 (0.32) EPHX2ALDH1A1
SCHEMBL888448 0.81 EPHX2 (0.40) EPHX2LMNAALDH1A1
SCHEMBL819515 0.74 LMNA (0.33) EPHX2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL9742313 0.72 HSD11B1 (0.41) EPHX2ALDH1A1USP2ALOX15TDP1
SCHEMBL888549 0.71 LMNA (0.39) EPHX2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL15189250 0.69 MEN1 (0.51) EPHX2LMNAALDH1A1
SCHEMBL3902691 0.67 CYP1A2 (0.46) EPHX2ALDH1A1USP2ALOX15TDP1

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