SCHEMBL13297334

SCHEMBL13297334

CC(C)Oc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(-c6ccc(C(=O)c7cccc(C(=O)c8ccc(-c9ccc(C(=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 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.43
▸ ACACA Q13085 5/20 0.43
▸ MAPT P10636 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ STS P08842 3/20 0.34
▸ PTGER4 P35408 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
SCHEMBL13297339 0.95 ACACB (0.40) ACACBACACAMAPTCASP1HPGD
SCHEMBL14050641 0.80 ALDH1A1 (0.42) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL13297341 0.78 CNR2 (0.34) ACACBACACACASP1CNR1CNR2
SCHEMBL13297331 0.75 KMT2A (0.43) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL17306100 0.75 ACACB (0.59) ACACBACACARXRARXRBKMT2A
SCHEMBL12780735 0.74 KMT2A (0.43) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL2758542 0.74 STS (0.50) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL8773061 0.72 PARP10 (0.47) MAPTALDH1A1LMNAKMT2ACA1
SCHEMBL20612732 0.72 BCL2 (0.49) ACACBACACAMAPTHPGDALDH1A1
SCHEMBL13665514 0.72 LMNA (0.41) MAPTCASP1HPGDALDH1A1LMNA

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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