SCHEMBL29669901

SCHEMBL29669901

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.47
▸ GLO1 Q04760 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.43
▸ BMP1 P13497 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ BACE1 P56817 5/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ CTSD P07339 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.40
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL29670069 0.93 PTPN1 (0.43) FOLH1GLO1NOD1BMP1PTGS1
SCHEMBL30695068 0.93 FOLH1 (0.47) FOLH1GLO1NOD1PTGS1GSTK1
SCHEMBL29360974 0.93 OPRM1 (0.46) FOLH1BACE1OPRM1OPRD1OPRK1
SCHEMBL30853510 0.91 NOD1 (0.45) FOLH1GLO1NOD1PTGS1GSTK1
SCHEMBL29772026 0.91 FOLH1 (0.45) FOLH1GLO1NOD1BACE1OPRM1
SCHEMBL29771974 0.90 BACE1 (0.45) FOLH1BACE1OPRM1OPRD1OPRK1
SCHEMBL31194150 0.90 FOLH1 (0.49) FOLH1GLO1NOD1PTGS1GSTK1
SCHEMBL29679903 0.89 FOLH1 (0.55) FOLH1NOD1BMP1BACE1CTSD
SCHEMBL30193320 0.89 FOLH1 (0.55) FOLH1GLO1NOD1PTGS1GSTK1
SCHEMBL30320500 0.89 OPRM1 (0.43) FOLH1GLO1NOD1OPRM1OPRD1

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-3996694-A1 PEPTIDES AS INHIBITORS OF FIBROTIC MATRIX ACCUMULATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2022-05-18 — — EP disclosed
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