SCHEMBL27770315

SCHEMBL27770315

CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.72
LMNA P02545 5/20 0.63
KDM4E B2RXH2 4/20 0.63
HTT P42858 3/20 0.63
NPC1 O15118 1/20 0.63
GAA P10253 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 4/20 0.60
PLK1 P53350 1/20 0.59
ELANE P08246 3/20 0.58
PRTN3 P24158 3/20 0.58
MCL1 Q07820 1/20 0.58
BCL2A1 Q16548 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
METAP2 P50579 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 2/20 0.56
KMT2A Q03164 2/20 0.56

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
SCHEMBL9191912 0.96 WDR5 (0.68) WDR5LMNAKDM4EHTTNPC1
SCHEMBL3560029 0.89 WDR5 (0.59) WDR5LMNAKDM4EHTTNPC1
SCHEMBL3562391 0.88 WDR5 (0.58) WDR5LMNAKDM4EHTTNPC1
SCHEMBL3552696 0.87 WDR5 (0.57) WDR5LMNAKDM4EHTTNPC1
SCHEMBL23200377 0.84 METAP2 (0.76) WDR5LMNAKDM4ENPC1ALDH1A1
SCHEMBL4651039 0.84 PTGES2 (0.66) WDR5LMNAKDM4EHTTNPC1
SCHEMBL30486834 0.83 LMNA (0.70) LMNAKDM4EHTTGAAALDH1A1
SCHEMBL2477690 0.83 LMNA (0.70) LMNAKDM4EHTTGAAALDH1A1
SCHEMBL23200374 0.82 METAP2 (0.70) WDR5LMNAKDM4ENPC1ALDH1A1
SCHEMBL3558860 0.82 WDR5 (0.57) WDR5LMNAHTTTDP1SMN1; SMN2

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
CN-101646647-A New methylenebisphenyl compounds useful in the treatment of inflammation BIOLIPOX AB SE 2010-02-10 CN disclosed