SCHEMBL7448992

SCHEMBL7448992

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)[C@@H](CCCCN)C(=O)NCCCCC=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
EPOR P19235 6/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
MAPT P10636 1/20 0.42
TLR2 O60603 1/20 0.40
FOLH1 Q04609 2/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL7447529 0.90 TPSAB1 (0.50) TPSAB1TPSD1TPSG1CPB1CPB2
SCHEMBL28477064 0.84 TPSAB1 (0.46) TPSAB1TPSD1TPSG1EPOR
SCHEMBL28477062 0.84 TPSAB1 (0.46) TPSAB1TPSD1TPSG1EPOR
SCHEMBL5692891 0.82 EPOR (0.55) TPSAB1TPSD1TPSG1CPB1CPB2
SCHEMBL3820596 0.82 TPSAB1 (0.53) TPSAB1TPSD1TPSG1CPB1CPB2
SCHEMBL4150947 0.82 TPSAB1 (0.53) TPSAB1TPSD1TPSG1CPB1CPB2
SCHEMBL375887 0.82 TPSAB1 (0.53) TPSAB1TPSD1TPSG1CPB1CPB2
SCHEMBL7785339 0.82 TPSAB1 (0.47) TPSAB1TPSD1TPSG1CPB1CPB2
SCHEMBL4848148 0.82 CPB1 (0.49) TPSAB1TPSD1TPSG1CPB1CPB2
SCHEMBL10877450 0.81 TPSAB1 (0.45) TPSAB1TPSD1TPSG1CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552264-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP plc (GB) 1993-07-28 EP disclosed
WO-1992006966-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1992-04-30 WO disclosed