SCHEMBL10947745

SCHEMBL10947745

C(=CN1CCOCC1)OC=CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
USP2 O75604 3/20 0.35
ALOX12 P18054 2/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 2/20 0.30
IDO1 P14902 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL10408076 0.78 RECQL (0.35) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL454529 0.70
SCHEMBL6443027 0.70
SCHEMBL4028169 0.70
SCHEMBL9142690 0.70
SCHEMBL454530 0.70
SCHEMBL6443029 0.70
SCHEMBL8014869 0.69 RECQL (0.38) RECQLALDH1A1MAPTUSP2ALOX12
Hydrochloric Acid SCHEMBL7460698 0.68 RECQL (0.37) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL7709421 0.67 MGLL (0.40) RECQLALDH1A1MAPTUSP2NPC1

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
US-4556546-A Bis tertiary amino alkyl derivatives as solvents for acid gas removal from gas streams AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-12-03 US claimed