SCHEMBL31073015

SCHEMBL31073015

CC1(O)OC(=O)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PDK2 Q15119 1/20 0.41
PTGS2 P35354 1/20 0.40
AKR1C1 Q04828 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
S100A4 P26447 1/20 0.38
PTPRC P08575 1/20 0.38
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP2 O95551 1/20 0.37
LMNA P02545 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
CTSD P07339 1/20 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
SCHEMBL16064982 0.82 OPRM1 (0.46) OPRM1OPRD1CA1CA2CA4
SCHEMBL29922012 0.79 POLB (0.42) OPRM1OPRD1PDK2PTGS2S100A4
SCHEMBL7697104 0.76 CFTR (0.50) CA1CA2CA7CA9AKR1C1
SCHEMBL29618362 0.76 PDK2 (0.53) OPRM1OPRD1CA1CA2CA4
SCHEMBL29618364 0.76 PDK2 (0.53) OPRM1OPRD1CA1CA2CA4
SCHEMBL24517455 0.76 PDK2 (0.53) OPRM1OPRD1CA1CA2CA4
SCHEMBL29922211 0.75 OPRM1 (0.46) OPRM1OPRD1CA1CA2CA4
SCHEMBL23526283 0.72 PDK2 (0.42) OPRM1OPRD1CA1CA2CA4
SCHEMBL29275490 0.71 S100A4 (0.41) OPRM1OPRD1CA1CA2CA4
SCHEMBL2484540 0.71 PDK2 (0.50) CA1CA2CA4CA7CA9

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-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed