SCHEMBL7734535

SCHEMBL7734535

CC(=O)C1C2CC3CC(C2)CC1(O)C3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.35
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 2/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.32
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6742682 0.81 THRB (0.36) EPHX1EPHX2ALDH1A1HSD11B1HTT
SCHEMBL3929216 0.79 ALDH1A1 (0.38) EPHX1EPHX2ALDH1A1NPC1LMNA
SCHEMBL28087061 0.78 THRB (0.38) EPHX1EPHX2ALDH1A1HSD11B1NPC1
SCHEMBL161518 0.78 THRB (0.38) EPHX1EPHX2ALDH1A1HSD11B1LMNA
SCHEMBL27976720 0.76 MAPK1 (0.42) EPHX2HSD11B1CYP2C9
SCHEMBL28396623 0.75 THRB (0.32) EPHX1EPHX2HSD11B1THRBCYP2C9
SCHEMBL2019240 0.75 THRB (0.32) EPHX1EPHX2HSD11B1THRBCYP2C9
SCHEMBL31160481 0.75 KMT2A (0.35) EPHX1EPHX2ALDH1A1HSD11B1LMNA
SCHEMBL28071496 0.72 HSD17B10 (0.35) EPHX2ALDH1A1HSD11B1HSD17B10
SCHEMBL678264 0.69 GRIN2D (0.33) EPHX1EPHX2LMNATHRBCYP2C9

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