SCHEMBL6132380

SCHEMBL6132380

CCOC(=O)c1ccc(N2CC(C)OC(C)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HTT P42858 3/20 0.62
HPGD P15428 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSP90AA1 P07900 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ESR1 P03372 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ESR2 Q92731 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL6132378 1.00 ALDH1A1 (0.62) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL6133086 0.96 ALDH1A1 (0.58) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL6133087 0.96 ALDH1A1 (0.58) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL6132539 0.92 ALDH1A1 (0.55) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL6132536 0.92 ALDH1A1 (0.55) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL14331881 0.84 HTT (0.58) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL63005 0.83 HTT (0.54) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL64329 0.83 HTT (0.54) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL64835 0.83 HTT (0.54) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL65289 0.83 HTT (0.54) ALDH1A1HTTHPGDMEN1KMT2A

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