SCHEMBL16131673

SCHEMBL16131673

CC(C)C[C@@H](C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.42
▸ BMP1 P13497 2/20 0.40
▸ CAPN1 P07384 2/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ TASP1 Q9H6P5 1/20 0.38
▸ MME P08473 2/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ NAALAD2 Q9Y3Q0 1/20 0.35

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
SCHEMBL14035809 0.89 GNPAT (0.46) FOLH1BMP1CAPN1CASP1CASP3
SCHEMBL29946268 0.80 TASP1 (0.51) FOLH1BMP1CASP1TASP1CTNNB1
SCHEMBL29664764 0.78 TASP1 (0.56) FOLH1BMP1CASP1CASP3CASP7
SCHEMBL18133071 0.78 BMP1 (0.48) FOLH1BMP1CASP1CASP3CASP7
SCHEMBL16549875 0.77 DPP4 (0.49) FOLH1CAPN1
SCHEMBL13187712 0.76 FOLH1 (0.49) FOLH1PTPN1NAALAD2
SCHEMBL29802264 0.75 TASP1 (0.51) CASP1CASP3CASP7CASP9TASP1
SCHEMBL16565961 0.74 DPP4 (0.55) FOLH1CAPN1
SCHEMBL4100803 0.73 CASP1 (0.50) BMP1CASP1CASP3CASP7CASP9
SCHEMBL29310042 0.73 CASP1 (0.50) BMP1CASP1CASP3CASP7CASP9

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
WO-2014146780-A1 STABILIZATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GMBH (DE) 2014-09-25 — — WO disclosed
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