SCHEMBL7733822

SCHEMBL7733822

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 2/20 0.36
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
RBP4 P02753 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5351544 0.92 HSD11B1 (0.40) ALDH1A1HSD11B1NPSR1MEN1KMT2A
SCHEMBL7457627 0.90 ALDH1A1 (0.42) ALDH1A1PKML3MBTL1NPSR1RBP4
SCHEMBL1732678 0.90 HSD11B1 (0.41) ALDH1A1HSD11B1PKML3MBTL1NPSR1
SCHEMBL6559746 0.88 HSD11B1 (0.40) ALDH1A1HSD11B1NPSR1MEN1KMT2A
SCHEMBL964124 0.86 HSD11B1 (0.41) ALDH1A1HSD11B1PKML3MBTL1MEN1
SCHEMBL5608428 0.80 MEN1 (0.46) HSD11B1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7735482 0.80 PKM (0.44) ALDH1A1HSD11B1PKMNPSR1MEN1
SCHEMBL8197101 0.80 MEN1 (0.46) HSD11B1NPSR1MEN1KMT2ALMNA
SCHEMBL282760 0.79 PKM (0.42) ALDH1A1PKML3MBTL1MEN1KMT2A
SCHEMBL29281855 0.79 HSD11B1 (0.34) ALDH1A1HSD11B1PKML3MBTL1

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
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed