SCHEMBL29635068

SCHEMBL29635068

NCCCC[C@H](NC1CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.50
▸ CPB2 Q96IY4 13/20 0.48
▸ GSR P00390 1/20 0.46
▸ RNPEP Q9H4A4 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL10611606 0.95 FOLH1 (0.44) FOLH1CPB2GSRRNPEPACE
SCHEMBL10611602 0.95 FOLH1 (0.44) FOLH1CPB2GSRRNPEPACE
SCHEMBL9181567 0.93 CPB2 (0.55) FOLH1CPB2GSR
SCHEMBL9181564 0.93 CPB2 (0.55) FOLH1CPB2GSR
SCHEMBL5736086 0.92 CPB2 (0.57) FOLH1CPB2
SCHEMBL10709782 0.78 FOLH1 (0.46) FOLH1CPB2GSRRNPEPACE
SCHEMBL22054574 0.78 CPB2 (0.45) CPB2
SCHEMBL22054642 0.77 CPB2 (0.47) CPB2
SCHEMBL17453157 0.77 CPB2 (0.47) CPB2
SCHEMBL30861186 0.77 CPB2 (0.44) FOLH1CPB2GSRACE

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-114478701-A Heptapeptide with anti-tumor activity and preparation method and application thereof 广西民族大学 2022-05-13 — — CN disclosed
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