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SCHEMBL29558454

SCHEMBL29558454

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.69
▸ VIPR1 P32241 4/20 0.64
▸ VIPR2 P41587 6/20 0.61
▸ BACE1 P56817 2/20 0.59
▸ BACE2 Q9Y5Z0 2/20 0.59
▸ GLP1R P43220 1/20 0.58
▸ GCGR P47871 1/20 0.58
▸ GIPR P48546 1/20 0.58
▸ NPY4R P50391 4/20 0.57
▸ NPY1R P25929 3/20 0.57
▸ NPY2R P49146 3/20 0.57
▸ NPY5R Q15761 3/20 0.57
▸ KDM1A O60341 2/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56

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
SCHEMBL30576938 0.97 TFPI (0.68) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL30262077 0.94 TFPI (0.67) TFPIVIPR1VIPR2BACE1BACE2
SCHEMBL30512630 0.94 NPY4R (0.63) TFPIVIPR1VIPR2NPY4RNPY1R
SCHEMBL29649232 0.93 TFPI (0.66) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL29453341 0.93 VIPR1 (0.72) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL31174227 0.92 NPY4R (0.62) TFPIBACE1BACE2NPY4RNPY1R
SCHEMBL29453357 0.92 VIPR2 (0.70) TFPIVIPR1VIPR2BACE1BACE2
SCHEMBL30601869 0.91 TFPI (0.79) TFPIVIPR1VIPR2GLP1R
SCHEMBL30436216 0.91 TFPI (0.79) TFPIVIPR1VIPR2GLP1R
SCHEMBL31047374 0.91 TFPI (0.66) TFPIVIPR1VIPR2BACE1BACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108676075-B Method for guiding protein molecules into plant cell nucleus 山西省农业科学院果树研究所 2022-04-01 — — CN claimed
CN-108676075-B Method for guiding protein molecules into plant cell nucleus 山西省农业科学院果树研究所 2022-04-01 — — CN disclosed
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