SCHEMBL21241652

SCHEMBL21241652

COc1cc(COC(=O)C2CCCCN2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE7B Q9NP56 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
POLB P06746 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL22861532 1.00 L3MBTL1 (0.47) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL22861528 0.88 FKBP1A (0.49) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL21241611 0.88 FKBP1A (0.49) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL21241612 0.86 FKBP1A (0.53) L3MBTL1KDM4EALDH1A1
SCHEMBL22861533 0.86 FKBP1A (0.53) L3MBTL1KDM4EALDH1A1
SCHEMBL7606506 0.84 L3MBTL1 (0.52) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7618126 0.84 L3MBTL1 (0.52) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL21241653 0.82 FKBP1A (0.52) KDM4EALDH1A1
SCHEMBL22861597 0.82 FKBP1A (0.52) KDM4EALDH1A1
SCHEMBL8545744 0.79 L3MBTL1 (0.48) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2

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
EP-3746440-B1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME UNIV TEXAS (US) 2023-07-05 EP disclosed
WO-2019152527-A1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-08 WO disclosed