SCHEMBL7272828

SCHEMBL7272828

CCCCCCCCN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(O)cc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.33
ADORA1 P30542 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LY96 Q9Y6Y9 1/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7282010 1.00 HDAC8 (0.33) HDAC8ADORA1L3MBTL1CTSSCTSK
SCHEMBL28808595 0.84 ESR1 (0.36) L3MBTL1CTSSCTSKLY96ESR1
SCHEMBL7280647 0.84 ESR1 (0.41) L3MBTL1CTSSCTSKESR1ADRA2A
SCHEMBL7273415 0.84 ESR1 (0.41) L3MBTL1CTSSCTSKESR1ADRA2A
SCHEMBL28370126 0.84 ESR1 (0.41) L3MBTL1CTSSCTSKESR1ADRA2A
SCHEMBL28365896 0.82 L3MBTL1 (0.39) L3MBTL1CTSSCTSKESR1ADRA2A
SCHEMBL7273178 0.82 L3MBTL1 (0.39) L3MBTL1CTSSCTSKESR1ADRA2A
SCHEMBL28365893 0.82 L3MBTL1 (0.39) L3MBTL1CTSSCTSKESR1ADRA2A
SCHEMBL7280562 0.82 L3MBTL1 (0.39) L3MBTL1CTSSCTSKESR1ADRA2A
SCHEMBL7273260 0.80 CPB2 (0.31) HDAC8

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
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 EP disclosed
EP-0729974-A1 Cyclic polypeptide with antibiotic activity and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-04 EP disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed