SCHEMBL7735003

SCHEMBL7735003

CC(=O)C12CC3(C)CC(C)(C1)CC(C(C)=O)(C3)C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX12 P18054 1/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17189800 0.94
SCHEMBL7734562 0.85 PKM (0.48) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL15784369 0.85 LMNA (0.36) PKMTSHRALDH1A1
SCHEMBL9142207 0.85 LMNA (0.36) PKMTSHRALDH1A1
SCHEMBL2745710 0.78 PKM (0.56) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL5614130 0.76 PKM (0.54) PKMRAB9ATSHRHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL5614131 0.76 PKM (0.54) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL12763620 0.76 PKM (0.42) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL14064599 0.76 PKM (0.54) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL301039 0.74 PKM (0.59) PKMRAB9ATSHRHSD17B10SMN1; SMN2

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