SCHEMBL4611077

SCHEMBL4611077

CCOC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 4/20 0.52
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD11B1 P28845 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 4/20 0.46

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
SCHEMBL31618421 0.92 LMNA (0.50) LMNAALDH1A1MAPTTHRBMEN1
SCHEMBL6160876 0.86 ALDH1A1 (0.50) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14644921 0.86 LMNA (0.60) LMNAALDH1A1MAPTTHRB
SCHEMBL27716428 0.82 EPHX2 (0.61) LMNAALDH1A1MAPTTHRBMEN1
SCHEMBL4611452 0.81 ALDH1A1 (0.49) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL15189250 0.81 MEN1 (0.51) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL27436851 0.80 ALDH1A1 (0.61) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2747445 0.80 ALDH1A1 (0.60) LMNAALDH1A1MAPTEPHX2
SCHEMBL16682529 0.80 ALDH1A1 (0.50) LMNAALDH1A1MAPTTHRBMEN1
SCHEMBL3567423 0.80 EPHX2 (0.65) LMNAALDH1A1EPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055654-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS DAICEL CHEM (JP) 2008-02-20 EP disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed
CN-87104184-A PHOTOCHROMIC SPIROPYRAN COMPOUNDS 1988-06-29 CN disclosed