SCHEMBL8018817

SCHEMBL8018817

C[C@@H](O)[C@H](NC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
TSHR P16473 1/20 0.61
ANPEP P15144 3/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.58
MME P08473 1/20 0.55
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6445570 0.89 MAPK1 (0.76) MAPK1TSHRANPEPMAPTL3MBTL1
SCHEMBL5175905 0.89 MAPK1 (0.76) MAPK1TSHRANPEPMAPTL3MBTL1
SCHEMBL7206283 0.89 MAPK1 (0.76) MAPK1TSHRANPEPMAPTL3MBTL1
SCHEMBL9554654 0.82 MAPT (0.74) MAPK1TSHRANPEPMAPTL3MBTL1
SCHEMBL12252067 0.82 MAPT (0.69) ANPEPMAPTL3MBTL1ALDH1A1ATM
SCHEMBL7599136 0.80 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1MME
SCHEMBL7876545 0.80 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1MME
SCHEMBL31336702 0.80 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1MME
SCHEMBL7293707 0.80 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1MME
SCHEMBL2074599 0.80 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1MME

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-0728144-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES DARWIN DISCOVERY LTD (GB) 2000-01-19 EP disclosed
US-5853623-A Peptidyl compounds and their therapeutic use as inhibitors of metalloproteinases CHIROSCIENCE LIMITED (GB) 1998-12-29 US disclosed
EP-0728144-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES Chiroscience Limited (GB) 1996-08-28 EP disclosed
WO-1995013289-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES CHIROSCIENCE LIMITED (GB) 1995-05-18 WO disclosed