SCHEMBL7280647

SCHEMBL7280647

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
ESR2 Q92731 1/20 0.41
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CDK2 P24941 1/20 0.37
MIF P14174 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ERAP2 Q6P179 2/20 0.36
LNPEP Q9UIQ6 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL28370126 1.00 ESR1 (0.41) ESR1ESR2CTSSCTSKCDK2
SCHEMBL7273415 1.00 ESR1 (0.41) ESR1ESR2CTSSCTSKCDK2
SCHEMBL28808595 0.91 ESR1 (0.36) ESR1ESR2CTSSCTSKCNR1
SCHEMBL7280562 0.89 L3MBTL1 (0.39) ESR1CTSSCTSKHDAC3HDAC1
SCHEMBL7273178 0.89 L3MBTL1 (0.39) ESR1CTSSCTSKHDAC3HDAC1
SCHEMBL28365896 0.89 L3MBTL1 (0.39) ESR1CTSSCTSKHDAC3HDAC1
SCHEMBL28365893 0.89 L3MBTL1 (0.39) ESR1CTSSCTSKHDAC3HDAC1
SCHEMBL1516221 0.85 ESR1 (0.44) ESR1ESR2CTSSCTSKMIF
SCHEMBL7282010 0.84 HDAC8 (0.33) ESR1CTSSCTSKCDK2CNR1
SCHEMBL7272828 0.84 HDAC8 (0.33) ESR1CTSSCTSKCDK2CNR1

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