SCHEMBL888548

SCHEMBL888548

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 2/20 0.39
EPHX2 P34913 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
DPP4 P27487 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36

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 0.87 LMNA (0.42) ALDH1A1LMNAMAPK1EPHX2MEN1
SCHEMBL888273 0.87 ALDH1A1 (0.50) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL888524 0.83 LMNA (0.39) ALDH1A1LMNAEPHX2MEN1KMT2A
SCHEMBL820119 0.81 ALDH1A1 (0.41) ALDH1A1TSHREPHX2MEN1KMT2A
SCHEMBL28931784 0.81 LMNA (0.42) ALDH1A1LMNAMAPK1EPHX2MEN1
SCHEMBL888450 0.79 ALDH1A1 (0.50) ALDH1A1LMNAEPHX2MEN1KMT2A
SCHEMBL27736444 0.78 ALDH1A1 (0.50) ALDH1A1LMNAEPHX2MEN1KMT2A
SCHEMBL28311741 0.75 DPP4 (0.50) ALDH1A1LMNAMEN1KMT2ADPP4
SCHEMBL4424458 0.73 ALDH1A1 (0.54) ALDH1A1LMNAEPHX2MEN1KMT2A
SCHEMBL15535315 0.73 ALDH1A1 (0.47) ALDH1A1LMNAEPHX2MEN1KMT2A

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