SCHEMBL27859622

SCHEMBL27859622

CC(C)(C)OC(=O)CC[C]1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
EPHX2 P34913 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
MLYCD O95822 1/20 0.34
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
STING1 Q86WV6 1/20 0.33
NR1H2 P55055 1/20 0.33
HPGD P15428 3/20 0.32
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL3674439 0.81 MTNR1A (0.38) PLA2G10PLA2G5EPHX1ALDH1A1KMT2A
SCHEMBL8563016 0.79 TSHR (0.48) HRH3EPHX2ALDH1A1KMT2AMEN1
SCHEMBL27692814 0.79 MTNR1A (0.39) HRH3PLA2G10PLA2G5EPHX1ALDH1A1
SCHEMBL10982252 0.75 CYP4F2 (0.50) HRH3ALDH1A1KMT2ANR1H2MTNR1A
Cyclohexane SCHEMBL27625968 0.72 LMNA (0.44) EPHX2EPHX1ALDH1A1STING1HDAC3
SCHEMBL644646 0.72 TSHR (0.45) EPHX2ALDH1A1STING1GAAHDAC3
SCHEMBL15355129 0.72 MEN1 (0.50) EPHX1ALDH1A1KMT2AMEN1MAPT
SCHEMBL8349429 0.69 MEN1 (0.48) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL26667580 0.69 HPGD (0.46) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL29059892 0.69 FFAR1 (0.48) HRH3NR1H2HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed