SCHEMBL6132730

SCHEMBL6132730

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(N3CC(C)OC(C)C3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
GRM2 Q14416 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AURKA O14965 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL6132728 1.00 MAPT (0.52) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6132481 0.85 ALDH1A1 (0.53) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6132480 0.85 ALDH1A1 (0.53) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6132709 0.80 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6132711 0.80 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6132970 0.80 MAPT (0.52) MAPTKMT2AALDH1A1KDM4ECA1
SCHEMBL6132972 0.80 MAPT (0.52) MAPTKMT2AALDH1A1KDM4ECA1
SCHEMBL6132380 0.78 ALDH1A1 (0.62) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL6132378 0.78 ALDH1A1 (0.62) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL7341735 0.77 ALDH1A1 (0.60) MAPTKMT2AALDH1A1MEN1KDM4E

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