SCHEMBL6132872

SCHEMBL6132872

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.37
GRK2 P25098 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PSMD10 O75832 1/20 0.35
GLA P06280 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
FBP1 P09467 1/20 0.34
GRM2 Q14416 1/20 0.33
CYP4A11 Q02928 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL6132296 0.91 KCNH2 (0.39) KMT2AKCNH2HRH3HDAC1HDAC2
SCHEMBL6132306 0.80 LMNA (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL6132384 0.75 MAPT (0.52) CA12CA1CA2CA9CA14
SCHEMBL6132386 0.75 MAPT (0.52) CA12CA1CA2CA9CA14
SCHEMBL20300448 0.70 KMT2A (0.58) KMT2ACA12CA1CA2CA9
SCHEMBL6133069 0.69 TSHR (0.46) CA12CA1CA2CA9CA14
SCHEMBL7086075 0.69 THRA (0.59) KMT2ACA12CA1CA2CA9
SCHEMBL6132712 0.69 LMNA (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL6132679 0.66 NR1H4 (0.44) CA12CA1CA2CA9
SCHEMBL6132909 0.66 NR1H4 (0.44) CA12CA1CA2CA9

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed