SCHEMBL27675576

SCHEMBL27675576

CCNC(CCCCNC(=N)N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.44
TLR2 O60603 1/20 0.39
NOD1 Q9Y239 3/20 0.39
ALOX15 P16050 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1419574 1.00 FOLH1 (0.44) FOLH1TLR2NOD1ALOX15SIRT6
SCHEMBL61231 0.95 FOLH1 (0.39) FOLH1TLR2NOD1ALOX15SMN1; SMN2
SCHEMBL1263209 0.95 FOLH1 (0.39) FOLH1TLR2NOD1ALOX15SMN1; SMN2
Acetic Acid SCHEMBL4412167 0.92 FOLH1 (0.40) FOLH1TLR2NOD1ALOX15SIRT6
SCHEMBL17641873 0.88 SIRT6 (0.40) FOLH1TLR2ALOX15SIRT6SIRT1
SCHEMBL8664309 0.87 NOD1 (0.53) FOLH1TLR2NOD1SIRT6SIRT1
SCHEMBL5983126 0.85 NOD1 (0.51) FOLH1TLR2NOD1SIRT6SIRT1
SCHEMBL5983133 0.85 NOD1 (0.51) FOLH1TLR2NOD1SIRT6SIRT1
SCHEMBL350197 0.84 NOD1 (0.41) FOLH1TLR2NOD1ALOX15SIRT6
SCHEMBL350198 0.84 NOD1 (0.41) FOLH1TLR2NOD1ALOX15SIRT6

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-86101850-A N, the manufacture method and the purposes of N '-dialkyl group guanidine radicals dipeptides 1987-02-04 CN disclosed