SCHEMBL9067705

SCHEMBL9067705

C[C@@H](N)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
PTGS2 P35354 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ECE1 P42892 1/20 0.47
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
TERT O14746 1/20 0.45
PTGS1 P23219 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
DPP4 P27487 2/20 0.39
GLO1 Q04760 1/20 0.38
FAAH O00519 2/20 0.37
EGLN1 Q9GZT9 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
DPP8 Q6V1X1 1/20 0.35

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
SCHEMBL3268775 1.00 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL483517 1.00 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL10789699 1.00 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30415495 1.00 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2476602 1.00 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL26160440 0.92 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL851239 0.92 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL1329382 0.92 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL483863 0.92 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30546898 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1

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