SCHEMBL29595332

SCHEMBL29595332

CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.46
▸ BACE1 P56817 11/20 0.45
▸ CTSD P07339 4/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PTH1R Q03431 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40

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
SCHEMBL29595771 0.96 TFPI (0.46) TFPIBACE1CTSDPTH1RKEAP1
SCHEMBL29867622 0.90 TFPI (0.50) TFPIBACE1RXFP1
SCHEMBL29595513 0.90 TFPI (0.43) TFPIBACE1CTSDPTH1RKEAP1
SCHEMBL29736066 0.89 KEAP1 (0.49) TFPIKEAP1
SCHEMBL29736168 0.89 KEAP1 (0.47) TFPIBACE1CTSDKEAP1
SCHEMBL29736361 0.88 TFPI (0.44) TFPIKEAP1
SCHEMBL29435830 0.88 TFPI (0.56) TFPIBACE1CTSDRXFP1PTH1R
SCHEMBL31410857 0.87 RXFP1 (0.47) TFPIBACE1RXFP1PTH1R
SCHEMBL31343254 0.87 TFPI (0.53) TFPIRXFP1PTH1RKEAP1
SCHEMBL29736145 0.86 TFPI (0.46) TFPIKEAP1

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-111825745-B Immunoregulatory active heptapeptide and preparation method and application thereof 中国科学院华南植物园 2022-03-04 — — CN disclosed
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