SCHEMBL9067648

SCHEMBL9067648

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.46
MME P08473 5/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
OPRD1 P41143 7/20 0.40
OPRM1 P35372 4/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ECE1 P42892 1/20 0.39
BLM P54132 1/20 0.39
NPEPPS P55786 1/20 0.39
CPA1 P15085 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
SCHEMBL7745199 0.88 ACE (0.47) ACEMMEALDH1A1MAPTLMNA
SCHEMBL2028236 0.88 ACE (0.47) ACEMMEALDH1A1MAPTLMNA
SCHEMBL8595093 0.82 ACE (0.51) ACEMMEALDH1A1MAPTLMNA
SCHEMBL9067249 0.81 GPR139 (0.47) ACEMMEGPR139KMT2AMEN1
SCHEMBL9068127 0.78 NOD2 (0.43) ALDH1A1LMNAGPR139OPRD1OPRM1
SCHEMBL9067650 0.78 ACE (0.40) ACEMMEALDH1A1MAPTGPR139
SCHEMBL28231704 0.77 SMN1; SMN2 (0.54) ACEMMEALDH1A1MAPTLMNA
SCHEMBL28231702 0.77 SMN1; SMN2 (0.54) ACEMMEALDH1A1MAPTLMNA
SCHEMBL9067652 0.77 GPR139 (0.57) ACEMMEALDH1A1MAPTGPR139
SCHEMBL9053361 0.77 ALDH1A1 (0.51) ALDH1A1MAPTLMNATDP1GPR139

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