SCHEMBL28776339

SCHEMBL28776339

CC=CC(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.38
▸ C3AR1 Q16581 1/20 0.37
▸ TGM2 P21980 4/20 0.36
▸ NOD1 Q9Y239 2/20 0.36
▸ NPY4R P50391 6/20 0.34
▸ NPY1R P25929 4/20 0.34
▸ NPY2R P49146 3/20 0.34
▸ NPY5R Q15761 3/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ CTDSP1 Q9GZU7 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
SCHEMBL28776336 1.00 FOLH1 (0.38) FOLH1C3AR1TGM2NOD1NPY4R
SCHEMBL30719374 0.87 ALDH1A1 (0.38) FOLH1C3AR1TGM2NOD1NPY4R
SCHEMBL8184648 0.86 TGM2 (0.45) FOLH1C3AR1TGM2NOD1
SCHEMBL7628303 0.86 TGM2 (0.45) FOLH1C3AR1TGM2NOD1
SCHEMBL12971304 0.82 C3AR1 (0.43) FOLH1C3AR1NOD1NPY4RNPY1R
SCHEMBL29005731 0.82 C3AR1 (0.43) FOLH1C3AR1NOD1NPY4RNPY1R
SCHEMBL6026003 0.81 FOLH1 (0.49) FOLH1C3AR1NOD1NPY4RNPY1R
SCHEMBL8678705 0.81 FOLH1 (0.46) FOLH1C3AR1NOD1NPY4RNPY1R
SCHEMBL468901 0.81 FOLH1 (0.49) FOLH1C3AR1NOD1NPY4RNPY1R
SCHEMBL30526285 0.81 FOLH1 (0.49) FOLH1C3AR1NOD1NPY4RNPY1R

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-112618785-B Porous antibacterial hydrogel dressing and preparation method thereof 广东省微生物研究所(广东省微生物分析检测中心) 2022-07-01 — — CN disclosed
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