SCHEMBL9067249

SCHEMBL9067249

C[C@@H](NC(=O)CNC(=O)C(S)C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.47
ACE P12821 8/20 0.43
MME P08473 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9068127 0.83 NOD2 (0.43) GPR139KMT2AMEN1
SCHEMBL9067648 0.81 ACE (0.46) GPR139ACEMMEKMT2AMEN1
SCHEMBL2028236 0.80 ACE (0.47) GPR139ACEMMEKMT2AMEN1
SCHEMBL7745199 0.80 ACE (0.47) GPR139ACEMMEKMT2AMEN1
SCHEMBL9829009 0.80 GPR139 (0.70) GPR139KMT2AMEN1
SCHEMBL9829001 0.80 GPR139 (0.70) GPR139KMT2AMEN1
SCHEMBL8595093 0.79 ACE (0.51) ACEMMEKMT2AMEN1
SCHEMBL9067650 0.78 ACE (0.40) GPR139ACEMMEKMT2AMEN1
SCHEMBL10720961 0.77 KMT2A (0.38) GPR139ACEMMEKMT2AMEN1
SCHEMBL8980460 0.75 KMT2A (0.46) ACEKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534497-A RADIOPHARMACEUTICALS; MEDICAL DIAGNOSIS MALLINCKRODT MEDICAL, INC. (US) 1996-07-09 US disclosed
US-5187264-A Technetium chelates to be used for determining the renal function MALLINCKRODT MEDICAL, INC. (US) 1993-02-16 US disclosed
EP-0250013-B1 TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION MALLINCKRODT, INC.(a Missouri corporation) (US) 1990-05-09 EP disclosed
US-4849511-A Technetium chelates to be used for determining the renal function MALLINCKRODT, INC. (US) 1989-07-18 US disclosed
EP-0250013-A1 Technetium chelates to be used for determining the renal function MALLINCKRODT, INC.(a Missouri corporation) (US) 1987-12-23 EP disclosed