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SCHEMBL8716659

SCHEMBL8716659

CCC(C)C(NC(=O)C(N)CC(N)=O)C(=O)NC(CCSC)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)O)C(C)CC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 2/20 0.53
▸ CCKAR P32238 1/20 0.53
▸ BACE1 P56817 2/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ PTH1R Q03431 1/20 0.46

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
SCHEMBL8716662 1.00 CCKBR (0.53) CCKBRCCKARBACE1PTPN1PTH1R
SCHEMBL30839330 0.89 CCKAR (0.51) CCKBRCCKARBACE1
SCHEMBL30839325 0.89 CCKAR (0.51) CCKBRCCKARBACE1
SCHEMBL30839332 0.88 BACE1 (0.54) CCKBRCCKARBACE1
SCHEMBL31668917 0.84 CCKBR (0.60) CCKBRCCKARPTH1R
SCHEMBL9751908 0.83 BACE1 (0.59) BACE1PTH1R
SCHEMBL9751910 0.83 BACE1 (0.59) BACE1PTH1R
SCHEMBL9751906 0.83 BACE1 (0.57) BACE1PTH1R
SCHEMBL9751911 0.83 BACE1 (0.57) BACE1PTH1R
SCHEMBL30786579 0.81 CTSD (0.48) CCKBRCCKAR

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-0839006-A1 PROCESS FOR STABILIZING PROTEINS IN AN ACIDIC ENVIRONMENT WITH A HIGH-ESTER PECTIN DANISCO A/S (DK) 1998-05-06 — — EP disclosed
WO-1997003574-A1 PROCESS FOR STABILIZING PROTEINS IN AN ACIDIC ENVIRONMENT WITH A HIGH-ESTER PECTIN DANISCO A/S (DK) 1997-02-06 — — WO disclosed
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