SCHEMBL28101646

SCHEMBL28101646

CC1CC(C)C(=O)C(CCOC2CC(=O)NC(=O)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NR2F2 P24468 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC2A1 P11166 1/20 0.43
EIF4A1 P60842 1/20 0.43
FKBP1A P62942 1/20 0.43
FKBP4 Q02790 1/20 0.43
EPAS1 Q99814 1/20 0.43
FKBP14 Q9NWM8 1/20 0.43
HTT P42858 1/20 0.43
CRBN Q96SW2 1/20 0.38

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
SCHEMBL10700337 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
SCHEMBL28101645 0.67 FKBP1A (0.53) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
SCHEMBL9565118 0.64 TSHR (0.38) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
SCHEMBL1754902 0.63 SMN1; SMN2 (0.38) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
SCHEMBL2349094 0.61 SMN1; SMN2 (0.39) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
SCHEMBL17616907 0.61 SMN1; SMN2 (0.53) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL24914327 0.60 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL26617 0.60 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL9344504 0.60 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL674135 0.60 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1

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-106002572-A Engineering equipment for removing rust on surface of construction steel structure and working method of engineering equipment 徐州工程学院 2016-10-12 CN disclosed