SCHEMBL30352773

SCHEMBL30352773

NCCCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.48
▸ GSR P00390 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.42
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ CPB2 Q96IY4 3/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ GSTK1 Q9Y2Q3 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ SLC15A2 Q16348 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
SCHEMBL31343201 0.94 FOLH1 (0.47) FOLH1GSRNOD1DPP8DPP9
SCHEMBL5336146 0.92 FOLH1 (0.55) FOLH1GSRNOD1DPP8DPP9
SCHEMBL5336140 0.92 FOLH1 (0.55) FOLH1GSRNOD1DPP8DPP9
SCHEMBL32690574 0.91 FOLH1 (0.55) FOLH1GSRNOD1DPP8DPP9
SCHEMBL30671932 0.91 GSR (0.50) FOLH1GSRDPP8DPP9DPP7
SCHEMBL30811121 0.90 FOLH1 (0.51) FOLH1GSRNOD1CPB2SLC15A2
SCHEMBL30811177 0.90 FOLH1 (0.51) FOLH1GSRNOD1CPB2SLC15A2
SCHEMBL30239244 0.89 FOLH1 (0.49) FOLH1GSRDPP8DPP9DPP7
SCHEMBL6809847 0.89 KMT2A (0.49) FOLH1NOD1DPP8DPP9PTGS1
SCHEMBL6809858 0.89 KMT2A (0.49) FOLH1NOD1DPP8DPP9PTGS1

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-110845572-B Tumor-targeted GRP (glass-fiber reinforced Polypropylene) analogue and application thereof 中国药科大学 2023-03-21 — — CN disclosed
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