SCHEMBL9999626

SCHEMBL9999626

Cc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 3/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
CA2 P00918 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
SCHEMBL12153253 0.95 ESR1 (0.39) BRD4PKMALDH1A1NPSR1MEN1
SCHEMBL12367660 0.87 ESR1 (0.43) ALDH1A1MEN1KMT2AESR1MAPT
SCHEMBL13411188 0.85 ESR1 (0.41) BRD4PKMALDH1A1NPSR1MEN1
SCHEMBL14106915 0.84 BRD4 (0.50) BRD4PKMALDH1A1NPSR1MEN1
SCHEMBL25969185 0.83 MEN1 (0.52) BRD4PKMALDH1A1NPSR1MEN1
SCHEMBL25969188 0.83 MEN1 (0.52) BRD4PKMALDH1A1NPSR1MEN1
SCHEMBL25969184 0.83 MEN1 (0.38) BRD4PKMALDH1A1NPSR1MEN1
SCHEMBL13292495 0.83 BRD4 (0.38) BRD4PKMALDH1A1NPSR1MEN1
SCHEMBL13038060 0.83 ESR1 (0.41) ALDH1A1MEN1KMT2AESR1MAPT
SCHEMBL30829232 0.82 MEN1 (0.47) BRD4PKMALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653297-B2 Solid acid, polymer electrolyte membrane including the same, and fuel cell using the polymer electrolyte membrane SAMSUNG SDI CO., LTD. (KR) 2014-02-18 US disclosed
US-8119833-B2 Dendrimer solid acid and polymer electrolyte membrane including the same SAMSUNG SDI CO., LTD. (KR) 2012-02-21 US disclosed
US-20110262833-A1 DENDRIMER SOLID ACID AND POLYMER ELECTROLYTE MEMBRANE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2011-10-27 US disclosed