SCHEMBL888524

SCHEMBL888524

CCOC(=O)C(COCC(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
EPHX2 P34913 7/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.36
DPP4 P27487 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL888633 0.89 LMNA (0.42) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL819752 0.83 EPHX2 (0.41) EPHX2ALDH1A1MEN1KMT2ANPC1
SCHEMBL888548 0.83 ALDH1A1 (0.44) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL888450 0.79 ALDH1A1 (0.50) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL28931784 0.77 LMNA (0.42) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL28524736 0.75 EPHX2 (0.40) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL819517 0.75 EPHX2 (0.40) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL3818619 0.75 L3MBTL1 (0.32) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL27736444 0.74 ALDH1A1 (0.50) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL18296940 0.73 MEN1 (0.45) LMNAEPHX2ALDH1A1MEN1KMT2A

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