SCHEMBL28030596

SCHEMBL28030596

CN(C(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.62
JAK2 O60674 1/20 0.58
JAK1 P23458 1/20 0.58
HSD11B1 P28845 2/20 0.52
SIGMAR1 Q99720 1/20 0.50
GPR119 Q8TDV5 4/20 0.48
STS P08842 1/20 0.47
CCR5 P51681 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL28030595 1.00 USP30 (0.62) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL7761338 1.00 USP30 (0.62) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL883610 0.94 USP30 (0.55) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL29782573 0.94 USP30 (0.55) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL803663 0.93 JAK2 (0.54) USP30JAK2JAK1SIGMAR1GPR119
SCHEMBL29418473 0.93 SIGMAR1 (0.55) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL3001865 0.91 USP30 (0.57) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL13243625 0.91 USP30 (0.57) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL29593677 0.91 JAK2 (0.51) USP30JAK2JAK1HSD11B1SIGMAR1
SCHEMBL13012605 0.90 SMN1; SMN2 (0.57) USP30SIGMAR1GPR119CCR5NPC1

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
CN-103764641-B The tricyclic compound of fractional saturation and preparation and application thereof 扎夫根股份有限公司 2016-10-26 CN disclosed
CN-104918615-A Methods of treating liver diseases ZAFGEN INC 2015-09-16 CN disclosed