SCHEMBL6132296

SCHEMBL6132296

COCCCCCCCS(=O)(=O)c1ccc(C2=CN(c3ccc(C(=O)O)cc3)CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 1/20 0.35
RARB P10826 7/20 0.34
MAPT P10636 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RARA P10276 1/20 0.33
MTOR P42345 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL6133069 0.80 TSHR (0.46) HDAC1HDAC2RARBMAPTTHRA
SCHEMBL6132679 0.75 NR1H4 (0.44) RARBMAPTRARA
SCHEMBL6132909 0.75 NR1H4 (0.44) RARBMAPTRARA
SCHEMBL7420362 0.72 ENPP3 (0.40) KCNH2HRH3HDAC1HDAC2RARB
SCHEMBL1018235 0.69 TSHR (0.56) MAPTALDH1A1PTGES
SCHEMBL6132306 0.69 LMNA (0.51) MAPTTHRATHRBALDH1A1KMT2A
SCHEMBL6132385 0.67 RARB (0.47) RARBMAPTRARA
SCHEMBL1128420 0.67 KCNH2 (0.51) KCNH2HRH3HDAC1HDAC2MAPT
SCHEMBL6132386 0.66 MAPT (0.52) MAPTALDH1A1
SCHEMBL6132384 0.66 MAPT (0.52) MAPTALDH1A1

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed