SCHEMBL30889136

SCHEMBL30889136

CC(C)CCCOC(=O)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PTPN1 P18031 1/20 0.35
CA1 P00915 3/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RARB P10826 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
CYP19A1 P11511 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
SCHEMBL27490307 0.86
SCHEMBL222547 0.82 CHRNB2 (0.53) BLMCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4673372 0.82 BLM (0.38) BLMPTPN1CA1CA12CA2
SCHEMBL8857039 0.81 BLM (0.40) BLMPTPN1CA1CA12CA2
SCHEMBL9069149 0.81 BLM (0.40) BLMPTPN1CA1CA12CA2
SCHEMBL1462721 0.79 BLM (0.43) BLMPTPN1CA1CA12CA2
SCHEMBL1462720 0.79 CA1 (0.40) BLMPTPN1CA1CA12CA2
SCHEMBL5314330 0.79 CA1 (0.40) BLMPTPN1CA1CA12CA2
SCHEMBL4675873 0.79 BLM (0.39) BLMPTPN1CA1CA12CA2
SCHEMBL126613 0.79 ALDH1A1 (0.56) BLMCHRNB2CHRNB4CHRNA3CHRNA4

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-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO disclosed