SCHEMBL28057731

SCHEMBL28057731

CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.50
PSMB11 A5LHX3 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48
PSMA4 P25789 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMA5 P28066 1/20 0.48
PSMB4 P28070 1/20 0.48
PSMB6 P28072 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB10 P40306 1/20 0.48
PSMB3 P49720 1/20 0.48
PSMB2 P49721 1/20 0.48
PSMA6 P60900 1/20 0.48
PSMA8 Q8TAA3 1/20 0.48
PSMB7 Q99436 1/20 0.48

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
SCHEMBL32676347 0.91 PSMB11 (0.53) ELANEPSMB11PSMA7PSMB1PSMA1
SCHEMBL1519049 0.90 ITGAV (0.47) ELANEITGB3ITGB1ITGAVITGA5
SCHEMBL1773188 0.88 ELANE (0.50) ELANEPSMB11PSMA7PSMB1PSMA1
SCHEMBL29412929 0.86 HDAC4 (0.54)
Segetalin D SCHEMBL151348 0.83 HDAC4 (0.54)
SCHEMBL29553179 0.82 TACR1 (0.61) TACR1TACR2
Segetalin E SCHEMBL30316701 0.82 TACR1 (0.46) TACR1TACR2
SCHEMBL29367084 0.81 NTSR1 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL30514849 0.81 KLK5 (0.53) ELANEPSMB11PSMA7PSMB1PSMA1
SCHEMBL29368119 0.81 NTSR1 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105440110-A Chemical synthetic method for anti-inflammatory cyclopeptide cyclosquamosin D SHANGHAI ABBIOCHEM COMPANY LTD 2016-03-30 CN disclosed