SCHEMBL13297341

SCHEMBL13297341

CC(C)Oc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5cccc(-c6ccc(S(=O)(=O)c7ccc(-c8ccc(S(=O)(=O)O)c(-c9ccc(S(=O)(=O)c%10ccc(-c%11ccc(S(=O)(=O)c%12ccc(C(C)C)cc%12)cc%11)cc%10)cc9)c8)cc7)cc6)c5)cc4)cc3S(=O)(=O)O)cc2S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.34
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CTSS P25774 1/20 0.33
▸ ACACB O00763 4/20 0.33
▸ ACACA Q13085 4/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BCL9 O00512 2/20 0.32
▸ CTNNB1 P35222 2/20 0.32
▸ P2RX4 Q99571 1/20 0.31
▸ MCL1 Q07820 2/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ S1PR1 P21453 1/20 0.31

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
SCHEMBL13297339 0.83 ACACB (0.40) CNR2HTTTDP1L3MBTL1ACACB
SCHEMBL13297334 0.78 ACACB (0.43) CNR2ACACBACACACNR1CASP1
SCHEMBL12807626 0.76 CNR2 (0.38) CNR2L3MBTL1CNR1CASP1BRD4
SCHEMBL12608152 0.71 HTT (0.43) CNR2HTTTDP1L3MBTL1CASP1
SCHEMBL12091348 0.70 MMP2 (0.48) HTT
SCHEMBL25841271 0.70 ACACB (0.52) HTTTDP1L3MBTL1ACACBACACA
SCHEMBL19382857 0.70 ACACB (0.52) HTTTDP1L3MBTL1ACACBACACA
SCHEMBL12780764 0.70 PKM (0.51) —
SCHEMBL18883311 0.69 SMN1; SMN2 (0.43) HTTL3MBTL1CASP1MCL1BCL2L1
SCHEMBL21715645 0.69 MMP14 (0.38) L3MBTL1ACACBACACAMCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7736539-B2 Ion-conducting polymers and membranes comprising them JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2010-06-15 — — US disclosed
US-20070196734-A1 Ion-Conducting Polymers And Membranes Comprising Them Johnson Matthey Hydrogen Technologies Limited (GB) 2007-08-23 — — US disclosed
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