SCHEMBL29600734

SCHEMBL29600734

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.51
▸ CDYL2 Q8N8U2 1/20 0.48
▸ CDYL Q9Y232 1/20 0.48
▸ CTSC P53634 2/20 0.47
▸ REN P00797 2/20 0.46
▸ PSMB5 P28074 3/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ GHSR Q92847 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ BACE1 P56817 2/20 0.41

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
SCHEMBL31122250 0.92 CALCRL (0.53) CALCRLCDYL2CDYLCTSCREN
SCHEMBL29601430 0.89 MAPK8 (0.46) CALCRLCDYL2CDYLRENMAPK8
SCHEMBL29506880 0.88 CALCRL (0.52) CALCRLCDYL2CDYLCTSCREN
SCHEMBL29634944 0.85 CALCRL (0.54) CALCRLCTSCRENMAPK8MAPK9
SCHEMBL31071032 0.85 CALCRL (0.55) CALCRLCDYL2CDYLCTSCREN
SCHEMBL31122251 0.83 CALCRL (0.52) CALCRLCTSCRENKEAP1MAPK8
SCHEMBL29634982 0.83 PSMB5 (0.48) CDYL2CDYLPSMB5STAT3BACE1
SCHEMBL30123252 0.82 CTSC (0.59) CALCRLCTSCRENBACE1
SCHEMBL38657878 0.82 CALCRL (0.43) CALCRLCTSCRENKEAP1MAPK8
SCHEMBL29634931 0.81 CALCRL (0.53) CALCRLCTSCRENKEAP1GHSR

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 2 patents. 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 claimed
EP-3997103-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2022-05-18 — — EP claimed
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