SCHEMBL3487246

SCHEMBL3487246

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.46
SLC7A5 Q01650 1/20 0.45
CTSB P07858 5/20 0.40
LARS1 Q9P2J5 1/20 0.40
SCN9A Q15858 3/20 0.39
CTSK P43235 1/20 0.39
ANPEP P15144 2/20 0.39
RNPEP Q9H4A4 2/20 0.39
DNPEP Q9ULA0 1/20 0.39
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL8817388 1.00 CAPN1 (0.46) CAPN1SLC7A5CTSBLARS1SCN9A
SCHEMBL9572309 1.00 CAPN1 (0.46) CAPN1SLC7A5CTSBLARS1SCN9A
SCHEMBL2475740 1.00 CAPN1 (0.46) CAPN1SLC7A5CTSBLARS1SCN9A
SCHEMBL16565969 1.00 CAPN1 (0.46) CAPN1SLC7A5CTSBLARS1SCN9A
SCHEMBL16897943 0.92 CAPN1 (0.41) CAPN1SLC7A5CTSBLARS1
SCHEMBL4232298 0.92 CAPN1 (0.41) CAPN1SLC7A5CTSBLARS1
SCHEMBL13039705 0.92 CAPN1 (0.41) CAPN1SLC7A5CTSBLARS1
SCHEMBL17347917 0.90 CAPN1 (0.48) CAPN1SLC7A5CTSBLARS1
SCHEMBL14899283 0.90 CAPN1 (0.45) CAPN1SLC7A5CTSBLARS1SCN9A
SCHEMBL2739549 0.89 CAPN1 (0.44) CAPN1SLC7A5CTSBCTSK

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
US-20100068147-A1 DENGUE DIAGNOSIS AND TREATMENT Agency for Science , Technology and Research (SG) 2010-03-18 US disclosed