SCHEMBL30683044

SCHEMBL30683044

COC[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
AAK1 Q2M2I8 8/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1B Q00975 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL30200406 1.00 CTSS (0.46) CTSSCTSKAAK1MAPTALDH1A1
SCHEMBL34471964 0.92 CTSS (0.43) CTSSCTSKAAK1MAPTALDH1A1
SCHEMBL2634242 0.88 MAPT (0.46) CTSSCTSKAAK1MAPTALDH1A1
SCHEMBL29373349 0.88 MAPT (0.46) CTSSCTSKAAK1MAPTALDH1A1
SCHEMBL31628315 0.86 CTSS (0.48) CTSSCTSKAAK1MAPTALDH1A1
SCHEMBL15092632 0.86 MAPT (0.48) CTSSCTSKAAK1MAPTALDH1A1
SCHEMBL19312076 0.86 CTSK (0.53) CTSSCTSKMAPT
SCHEMBL31017568 0.86 MAPT (0.48) CTSSCTSKAAK1MAPTALDH1A1
SCHEMBL13184597 0.86 CTSK (0.53) CTSSCTSKMAPT
SCHEMBL19580945 0.86 CTSS (0.48) CTSSCTSKAAK1MAPTALDH1A1

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-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed