SCHEMBL13297339

SCHEMBL13297339

CC(C)Oc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(-c6ccc(C(=O)c7cccc(C(=O)c8ccc(-c9ccc(S(=O)(=O)c%10ccc(C(C)C)cc%10)cc9)cc8)c7)cc6)cc5)cc4)cc3S(=O)(=O)O)cc2S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.40
▸ ACACA Q13085 3/20 0.40
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MCL1 Q07820 3/20 0.33
▸ BCL2L1 Q07817 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 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
SCHEMBL13297334 0.95 ACACB (0.43) ACACBACACACA1CA2CA9
SCHEMBL13297341 0.83 CNR2 (0.34) ACACBACACACNR2CASP1HTT
SCHEMBL13297323 0.77 HTT (0.41) CA1CA2CA9MAPTHPGD
SCHEMBL14050641 0.77 ALDH1A1 (0.42) MAPTHPGDHTTMCL1KMT2A
SCHEMBL12608150 0.76 KMT2A (0.46) ACACBACACACNR2MAPTHPGD
SCHEMBL17306107 0.76 KMT2A (0.46) ACACBACACACNR2MAPTHPGD
SCHEMBL12807626 0.75 CNR2 (0.38) CNR2MAPTCASP1L3MBTL1CNR1
SCHEMBL13712275 0.73 HTT (0.43) MAPTHTTTDP1L3MBTL1CNR1
SCHEMBL13978715 0.73 HTT (0.47) CNR2MAPTHTTTDP1L3MBTL1
SCHEMBL13665512 0.73 ALDH1A1 (0.41) MAPTHPGDL3MBTL1KMT2AALDH1A1

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 4 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-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
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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