SCHEMBL22623308

SCHEMBL22623308

CCCCC(=O)NC(CCCS)C(=O)NC(C=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 4/20 0.42
▸ EPHX2 P34913 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ SLC6A5 Q9Y345 2/20 0.38
▸ PLA2G2C Q5R387 1/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ CASP3 P42574 3/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ GLP1R P43220 3/20 0.35
▸ BMP1 P13497 1/20 0.34

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
SCHEMBL17793216 0.75 NOD1 (0.53) NOD1SLC6A5PLA2G2CPLA2G10
SCHEMBL20257262 0.72 FNTA (0.42) CASP1BMP1
SCHEMBL14048819 0.72 CASP3 (0.48) CASP1CASP3
SCHEMBL13019043 0.72 CASP3 (0.48) CASP1CASP3
SCHEMBL13018867 0.72 CASP3 (0.48) CASP1CASP3
SCHEMBL13020570 0.72 CASP3 (0.48) CASP1CASP3
SCHEMBL13776558 0.71 CA2 (0.51) CASP1CASP3
SCHEMBL27410587 0.71 NOD1 (0.43) NOD1EPHX2PLA2G2CPLA2G10BMP1
SCHEMBL12809931 0.70 CASP3 (0.45) CASP1CASP3
SCHEMBL7275500 0.70 CASP3 (0.45) CASP1CASP3

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-3733683-A1 NUCLEOSIDE ANALOGUE, PREPARATION METHOD AND APPLICATION GeneMind Biosciences Company Limited (CN) 2020-11-04 — — EP disclosed
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