SCHEMBL29634944

SCHEMBL29634944

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.54
CTSC P53634 3/20 0.52
REN P00797 2/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
BACE1 P56817 7/20 0.46
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44

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
SCHEMBL29634931 0.94 CALCRL (0.53) CALCRLCTSCRENNAALAD2BACE1
SCHEMBL29430213 0.94 CALCRL (0.55) CALCRLCTSCRENNAALAD2MAPK8
SCHEMBL31122250 0.93 CALCRL (0.53) CALCRLCTSCRENBACE1MAPK8
SCHEMBL30123252 0.93 CTSC (0.59) CALCRLCTSCRENBACE1
SCHEMBL29531750 0.91 CTSC (0.56) CALCRLCTSCRENNAALAD2
SCHEMBL10618815 0.90 CTSC (0.56) CALCRLCTSCRENBACE1
SCHEMBL10618805 0.90 CTSC (0.56) CALCRLCTSCRENBACE1
SCHEMBL30017540 0.88 REN (0.51) CTSCRENNAALAD2BACE1BACE2
SCHEMBL29506880 0.88 CALCRL (0.52) CALCRLCTSCRENBACE1MAPK8
SCHEMBL30974255 0.87 REN (0.56) CALCRLCTSCREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997104-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2022-05-18 EP disclosed