SCHEMBL17691122

SCHEMBL17691122

CCC(CCC(C)CC[C@H](C)C(C)=O)C(C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.39
BLM P54132 1/20 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
SCHEMBL1785663 0.79 ACE2 (0.42) ACE2BLM
SCHEMBL1783097 0.77 ACE2 (0.50) ACE2BLM
SCHEMBL12166141 0.76 ALDH1A1 (0.35) ACE2
SCHEMBL13410354 0.73 GABRR1 (0.46) ACE2BLM
SCHEMBL25003459 0.69 GABRR1 (0.44) ACE2BLM
SCHEMBL11220130 0.69 ACE2 (0.36) ACE2BLM
SCHEMBL18034821 0.69 USP2 (0.39)
SCHEMBL1782275 0.68 PTPN1 (0.35) ACE2
SCHEMBL17953985 0.68 PTPN1 (0.35) ACE2
SCHEMBL1784620 0.67 BLM (0.47) ACE2BLM

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
EP-2817322-B1 HOMO- AND HETERODIMERIC SMAC MIMETIC COMPOUNDS AS APOPTOSIS INDUCERS UNIV DEGLI STUDI MILANO (IT) 2016-04-20 EP disclosed