SCHEMBL29952634

SCHEMBL29952634

OB(O)c1cccc2cc(O)cnc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
PSMD14 O00487 2/20 0.39
COPS5 Q92905 1/20 0.39
PARP1 P09874 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL5548299 0.78 KDM4E (0.53) KDM4EPSMD14COPS5PARP1HSP90AA1
Jineol SCHEMBL29696064 0.77 KDM4E (0.67) KDM4EHSP90AA1HSP90AB1
Jineol SCHEMBL4213727 0.77 KDM4E (0.67) KDM4EHSP90AA1HSP90AB1
Jineol SCHEMBL28133873 0.76 KDM4E (0.65) KDM4EHSP90AA1HSP90AB1
SCHEMBL29956211 0.75 HSP90AA1 (0.51) KDM4EPSMD14COPS5HSP90AA1HSP90AB1
SCHEMBL31062026 0.74 KDM4E (0.44) KDM4EPSMD14COPS5PARP1HSP90AA1
SCHEMBL8489038 0.74 KDM4E (0.44) KDM4EPSMD14COPS5PARP1HSP90AA1
SCHEMBL12487794 0.74 KDM4E (0.44) KDM4EPSMD14COPS5PARP1HSP90AA1
SCHEMBL686920 0.74 CCR1 (0.52) KDM4EHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL30570886 0.74 CCR1 (0.52) KDM4EHSP90AA1HSP90AB1CCR1CCR5

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed