SCHEMBL25075313

SCHEMBL25075313

CCC[C@@H]1CCN(CC(=O)N2CCC(C(C)C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.38
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL25075121 0.86 BIRC2 (0.38) BIRC2GNAI3GNAO1GNAI1PKM
SCHEMBL25075104 0.86 BIRC2 (0.38) BIRC2GNAI3GNAO1GNAI1PKM
SCHEMBL25075133 0.86 BIRC2 (0.38) BIRC2GNAI3GNAO1GNAI1PKM
SCHEMBL26494139 0.85 BIRC2 (0.43) BIRC2PKMKDM4ELMNARAB9A
SCHEMBL25075124 0.85 BIRC2 (0.43) BIRC2PKMKDM4ELMNARAB9A
SCHEMBL25075130 0.85 BIRC2 (0.43) BIRC2PKMKDM4ELMNARAB9A
SCHEMBL25075489 0.84 BIRC2 (0.36) BIRC2GNAI3GNAO1GNAI1PKM
SCHEMBL24330246 0.83 GAA (0.47) BIRC2PKMKDM4ELMNARAB9A
SCHEMBL26497686 0.82 LMNA (0.40) BIRC2PKMKDM4ELMNARAB9A
SCHEMBL25075102 0.81 LMNA (0.43) BIRC2GNAI3GNAO1GNAI1PKM

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-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed