SCHEMBL10700337

SCHEMBL10700337

CC1CC(C)C(=O)C(CCC2CC(=O)NC(=O)C2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
NR2F2 P24468 3/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
HIF1A Q16665 2/20 0.54
FKBP1A P62942 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
SLC2A1 P11166 1/20 0.54
EIF4A1 P60842 1/20 0.54
FKBP4 Q02790 1/20 0.54
EPAS1 Q99814 1/20 0.54
FKBP14 Q9NWM8 1/20 0.54
HTT P42858 1/20 0.54
CRBN Q96SW2 1/20 0.42

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
SCHEMBL28101646 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
SCHEMBL17616907 0.71 SMN1; SMN2 (0.53) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL674135 0.70 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL1753509 0.70 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL3764340 0.70 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL24914327 0.70 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL9344504 0.70 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL26617 0.70 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL17223570 0.70 FKBP1A (1.00) SMN1; SMN2NR2F2LMNANPC1ALDH1A1
Cycloheximide SCHEMBL30020292 0.70 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4766113-A METAL CHELATE OF 8-HYDROXY QUINOLINE AND ALKYLOENZENE SULFONIC ACID CHAPMAN CHEMICAL COMPANY (US) 1988-08-23 US disclosed
US-4602011-A METAL CHELATE OF 8-HYDROXY QUINOLINE AND AN ALKYL BENZENE SULFONIC ACID CHAPMAN CHEMICAL COMPANY (US) 1986-07-22 US disclosed