SCHEMBL22856574

SCHEMBL22856574

CC(C)(C)OC(=O)N1CCO[C@@H](COCCO)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 7/20 0.50
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ EPHA2 P29317 4/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ ERBB2 P04626 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ P2RX3 P56373 2/20 0.36
▸ P2RX2 Q9UBL9 2/20 0.36

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
SCHEMBL31493955 1.00 PDK1 (0.50) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL22856599 1.00 PDK1 (0.50) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL22856094 0.89 USP2 (0.44) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL22856437 0.89 USP2 (0.44) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL23860226 0.88 USP2 (0.43) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL8140489 0.88 PDK1 (0.54) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL17897027 0.88 PDK1 (0.54) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL30962180 0.87 PDK1 (0.59) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL23807943 0.86 USP2 (0.43) PDK1USP2SMN1; SMN2EPHA2RECQL
SCHEMBL22856401 0.86 USP2 (0.43) PDK1USP2SMN1; SMN2EPHA2RECQL

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-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 — — WO disclosed
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