SCHEMBL20144557

SCHEMBL20144557

CCCOC(C)(C)CCNC(=O)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 6/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSMB5 P28074 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
CNR1 P21554 1/20 0.31
BIRC2 Q13490 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
SCHEMBL24709963 0.89 TP53 (0.41) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL24709967 0.88 TP53 (0.40) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL19245438 0.87 SMN1; SMN2 (0.41) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20144578 0.84 TP53 (0.37) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL23919438 0.83 MEN1 (0.45) KMT2A
SCHEMBL24489332 0.79 MEN1 (0.41) HPGDALDH1A1KMT2APSMB5CNR1
SCHEMBL19776870 0.79 TP53 (0.34) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL22548790 0.79 TP53 (0.38) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL24913317 0.77 SMN1; SMN2 (0.39) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL13629818 0.77 CASP2 (0.47) SMN1; SMN2HPGDALDH1A1

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
EP-3321279-A1 EXENATIDE MODIFIER AND USE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2018-05-16 EP disclosed