SCHEMBL30993456

SCHEMBL30993456

CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
F13A1 P00488 1/20 0.50
TGM2 P21980 1/20 0.50
TGM1 P22735 1/20 0.50
CYP2C19 P33261 1/20 0.50
GPR119 Q8TDV5 1/20 0.49
NR1H2 P55055 1/20 0.49
PARP1 P09874 1/20 0.48
HTR2C P28335 1/20 0.48
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47

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
SCHEMBL31288410 1.00 JAK2 (0.53) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL6095209 1.00 JAK2 (0.53) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL30960033 0.93 JAK2 (0.61) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL30959962 0.93 JAK2 (0.61) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL7195745 0.93 HTR2C (0.54) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL24025369 0.93 GPR119 (0.61) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL30960004 0.93 JAK2 (0.61) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL17112637 0.91 SMN1; SMN2 (0.60) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL17112639 0.91 SMN1; SMN2 (0.60) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL30289643 0.90 SMN1; SMN2 (0.50) JAK2JAK1SMN1; SMN2NPC1RAB9A

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
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed