SCHEMBL10708317

SCHEMBL10708317

CCOC(=O)C(CC1CCC(C)CC1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP8 P22894 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
SCHEMBL10708312 1.00 TRPM8 (0.38) TRPM8L3MBTL1ALDH1A1LMNAHSD17B10
SCHEMBL9219750 0.94 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL25381770 0.86 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAHSD17B10TDP1
SCHEMBL16732371 0.86 METAP2 (0.40) L3MBTL1ALDH1A1CYP2D6NPSR1
SCHEMBL1009487 0.86 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL11021965 0.85 METAP2 (0.43) L3MBTL1ALDH1A1NPSR1
SCHEMBL4138474 0.85 ALDH1A1 (0.38) TRPM8L3MBTL1ALDH1A1LMNAHSD17B10
SCHEMBL4425794 0.85 METAP2 (0.43) L3MBTL1ALDH1A1NPSR1
SCHEMBL11320136 0.81 CPN1 (0.45) L3MBTL1ALOX15
SCHEMBL10707623 0.81 TP53 (0.42) L3MBTL1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152697-B1 HETEROCYCLICALLY SUBSTITUTED ETHANES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1988-12-07 EP disclosed
US-4698176-A Heterocyclically substituted ethanes and their use in liquid crystal materials and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1987-10-06 US disclosed
US-4632515-A Heterocyclically substituted ethanes and their use in liquid crystal materials and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1986-12-30 US disclosed
EP-0152697-A1 Heterocyclically substituted ethanes and their use in liquid crystal materials and devices The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-08-28 EP disclosed