SCHEMBL31292829

SCHEMBL31292829

CCC(C)(NC(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.46
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
RIPK1 Q13546 1/20 0.39
GAA P10253 1/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL15124774 0.89 AAK1 (0.45) AAK1CTSBCTSSCTSKMEN1
SCHEMBL244890 0.89 AAK1 (0.45) AAK1CTSBCTSSCTSKMEN1
SCHEMBL243147 0.87 AAK1 (0.43) AAK1CTSBCTSSCTSKMEN1
SCHEMBL31292821 0.86 AAK1 (0.45) AAK1CTSBCTSSCTSKMEN1
SCHEMBL2175047 0.85 AAK1 (0.42) AAK1CTSBCTSSCTSKMEN1
SCHEMBL31292779 0.84 MAPK1 (0.36) AAK1SMN1; SMN2ALDH1A1
SCHEMBL2580865 0.83 AAK1 (0.45) AAK1CTSBCTSSCTSKMEN1
SCHEMBL245817 0.81 AAK1 (0.39) AAK1CTSBCTSSCTSKMEN1
SCHEMBL6009498 0.80 AAK1 (0.42) AAK1CTSBCTSSCTSKMEN1
SCHEMBL15124834 0.80 AAK1 (0.43) AAK1CTSBCTSSCTSKMEN1

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-2025024030-A2 MOLECULAR GLUES TARGETING A TRANSCRIPTIONAL REGULATOR OF ABERRANT METABOLIC STATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-30 WO disclosed