SCHEMBL28035646

SCHEMBL28035646

CCNC(CC(N)=O)C(=O)O.CCNCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
FOLH1 Q04609 1/20 0.34
RIMKLA Q8IXN7 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 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
SCHEMBL88480 0.88 ECE1 (0.46) ECE1MEN1KMT2APDCD1LG2CD274
SCHEMBL88481 0.88 ECE1 (0.46) ECE1MEN1KMT2APDCD1LG2CD274
SCHEMBL30406637 0.88 ECE1 (0.46) ECE1MEN1KMT2APDCD1LG2CD274
SCHEMBL2514366 0.80 ECE1 (0.42) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL8675912 0.80 ECE1 (0.42) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL9505796 0.78 ECE1 (0.36) ECE1MEN1KMT2AFOLH1RIMKLA
SCHEMBL4519259 0.76 CA2 (0.42) FOLH1RIMKLANAALAD2CA2
SCHEMBL11131045 0.76 CA2 (0.42) FOLH1RIMKLANAALAD2CA2
SCHEMBL5489086 0.76 CA2 (0.42) FOLH1RIMKLANAALAD2CA2
Phenol SCHEMBL27348628 0.74 ALDH1A1 (0.46) ECE1MEN1KMT2AFOLH1ITGB2

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
CN-104995516-A Agents, kits and methods for complement factor H-related protein 1 detection MORPHOSYS AG 2015-10-21 CN disclosed