SCHEMBL8655643

SCHEMBL8655643

CSCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCCCN.C[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
BHMT Q93088 3/20 0.34
BHMT2 Q9H2M3 1/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
CPB2 Q96IY4 2/20 0.32
NOS2 P35228 2/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
RNPEP Q9H4A4 2/20 0.32
TLR2 O60603 2/20 0.32
THRB P10828 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL7530109 0.86 GSR (0.54) GSRNOS3NOS1CPB2NOS2
SCHEMBL1345094 0.85 GSR (0.47) GSRCPB2RNPEPGNAI3GNAO1
Serine SCHEMBL3442575 0.85 GSR (0.50) GSRBHMTBHMT2NOS3NOS1
SCHEMBL6574895 0.84 GSR (0.46) GSRCPB2RNPEPGNAI3GNAO1
Lysine SCHEMBL6749781 0.83 GSR (0.33) GSR
Alanine SCHEMBL4961214 0.81 GSR (0.59) GSRNOS3NOS1CPB2NOS2
Lysine SCHEMBL12469851 0.81 GSR (0.65) GSRBHMTBHMT2NOS3NOS1
SCHEMBL5586890 0.81 GSR (0.40) GSRRNPEPGNAI3GNAO1GNAI1
Lysine SCHEMBL8720001 0.80 GSR (0.71) GSRBHMTBHMT2NOS3NOS1
Lysine SCHEMBL938951 0.80 GSR (0.71) GSRBHMTBHMT2NOS3NOS1

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
EP-0057350-B1 Recombinant DNA means and method COLLABORATIVE RES INC (US) 1998-10-21 EP disclosed
US-5525484-A GENETICALLY ENGINEERED BACTERIA OR YEAST CELLS CONTAINING GENETIC MATERIAL FROM RECOMBINANT DNA WHICH CODES FOR BOVINE RENNIN GENOME THERAPEUTICS CORP. (US) 1996-06-11 US disclosed
US-5496711-A GENETIC ENGINEERING WITH DNA USING FUNGI, YEASTS AND BACTERIA GENOME THERAPEUTICS CORP. (US) 1996-03-05 US disclosed
EP-0057350-A2 Recombinant DNA means and method Collaborative Research Inc. (US) 1982-08-11 EP disclosed