SCHEMBL3855086

SCHEMBL3855086

CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC(=O)C(NC(=O)CN)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.56
▸ ECE1 P42892 8/20 0.55
▸ GHSR Q92847 1/20 0.51
▸ REN P00797 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MMP9 P14780 2/20 0.51
▸ MMP8 P22894 2/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ ERBB2 P04626 1/20 0.51

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
SCHEMBL3855087 1.00 ACE (0.56) ACEECE1GHSRRENKDM4E
SCHEMBL30051310 0.90 ACE (0.68) ACEECE1POLB
SCHEMBL29493334 0.90 ACE (0.61) ACEECE1GHSRKDM4EAPAF1
SCHEMBL9822619 0.90 ACE (0.61) ACEECE1GHSRKDM4EAPAF1
SCHEMBL31571452 0.87 MMP2 (0.58) ACEECE1GHSRKDM4EAPAF1
SCHEMBL30051401 0.86 ACE (0.59) ACEECE1GHSRKDM4EAPAF1
SCHEMBL29429269 0.86 ACE (0.71) ACEECE1POLB
SCHEMBL29749345 0.85 ACE (0.63) ACEECE1GHSRKDM4EAPAF1
SCHEMBL30974377 0.85 GHSR (0.57) ACEGHSRERBB2
SCHEMBL24725502 0.84 MMP2 (0.56) ECE1MMP9MMP8MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090210959-A1 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2009-08-20 — — US disclosed
EP-1876882-A4 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES CA NAT RESEARCH COUNCIL (CA) 2009-01-14 — — EP disclosed
EP-1876882-A1 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES National Research Council of Canada (CA) 2008-01-16 — — EP disclosed
WO-2006116876-A1 METHOD FOR PRODUCTION OF SAPONARIA FROM MICROSPORES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2006-11-09 — — WO disclosed
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