SCHEMBL8633798

SCHEMBL8633798

CCCN(N)C(CCC(N)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NOD1 Q9Y239 2/20 0.36
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
GRIK1 P39086 3/20 0.34
GRIK2 Q13002 3/20 0.34
SLC1A3 P43003 2/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL5495880 0.88 NOD1 (0.42) KMT2AALOX15BLMPMP22NOD1
SCHEMBL5495885 0.88 NOD1 (0.42) KMT2AALOX15BLMPMP22NOD1
SCHEMBL6471197 0.85 ALOX15 (0.45) KMT2AALOX15BLMPMP22NOD1
SCHEMBL28921611 0.84 KMT2A (0.44) KMT2AALOX15BLMPMP22NOD1
SCHEMBL27631473 0.84 KMT2A (0.44) KMT2AALOX15BLMPMP22NOD1
SCHEMBL11659223 0.82 KMT2A (0.42) KMT2AALOX15BLMPMP22NOD1
SCHEMBL10828944 0.82 KMT2A (0.42) KMT2AALOX15BLMPMP22NOD1
SCHEMBL28819879 0.81 ECE1 (0.33) NOD1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL28819881 0.81 ECE1 (0.33) NOD1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL30821536 0.80 ALOX15 (0.38) KMT2AALOX15BLMPMP22NOD1

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-5776875-A Use of biodegradable polymers in preventing scale build-up NALCO CHEMICAL COMPANY (US) 1998-07-07 US claimed