SCHEMBL9110705

SCHEMBL9110705

CC[C@@H](C)[C@@H](NC(=O)CNC(=O)CN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)O)C(C)C)[C@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAGI3 Q5TCQ9 1/20 0.65
EDNRA P25101 1/20 0.51
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRMT1 Q99873 1/20 0.48
ACE P12821 2/20 0.47
PCSK9 Q8NBP7 2/20 0.47
ECE1 P42892 2/20 0.47
GLP1R P43220 2/20 0.45
ERBB2 P04626 1/20 0.45

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
SCHEMBL9143425 1.00 MAGI3 (0.65) MAGI3EDNRAKMT2AL3MBTL1PRMT1
SCHEMBL9110690 1.00 MAGI3 (0.65) MAGI3EDNRAKMT2AL3MBTL1PRMT1
SCHEMBL9143412 1.00 MAGI3 (0.65) MAGI3EDNRAKMT2AL3MBTL1PRMT1
SCHEMBL9141706 0.94 MAGI3 (0.69) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL9114918 0.94 MAGI3 (0.69) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL9141715 0.94 MAGI3 (0.69) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL9114908 0.94 MAGI3 (0.69) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL9110652 0.87 MAGI3 (0.49) MAGI3EDNRAKMT2AL3MBTL1PRMT1
SCHEMBL30051825 0.83 ACE (0.64) EDNRAKMT2AL3MBTL1ACEECE1
SCHEMBL30051105 0.83 ACE (0.56) MAGI3EDNRAKMT2AL3MBTL1ACE

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-5464935-A Peptide inhibitors of selectin binding CENTOCOR, INC. (US) 1995-11-07 US disclosed
EP-0652897-A4 PEPTIDE INHIBITORS OF SELECTIN BINDING. CENTOCOR INC (US) 1995-09-20 EP disclosed
EP-0652897-A1 PEPTIDE INHIBITORS OF SELECTIN BINDING CENTOCOR INC. (US) 1995-05-17 EP disclosed
WO-1993024527-A1 PEPTIDE INHIBITORS OF SELECTIN BINDING CENTOCOR, INC. (US) 1993-12-09 WO disclosed