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Sugi Predict / Compounds / SCHEMBL29596291

SCHEMBL29596291

SCHEMBL29596291

CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.66
▸ GLP1R P43220 4/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ MUS81 Q96NY9 1/20 0.55
▸ VIPR1 P32241 1/20 0.55
▸ SCTR P47872 1/20 0.54
▸ EPHA2 P29317 2/20 0.53
▸ NR3C1 P04150 1/20 0.53
▸ GCGR P47871 1/20 0.53
▸ GIPR P48546 1/20 0.53
▸ RAMP3 O60896 1/20 0.53
▸ CALCR P30988 1/20 0.53

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
SCHEMBL29594800 0.94 TFPI (0.62) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL38660704 0.91 NPY5R (0.58) TFPI
SCHEMBL30495846 0.90 TFPI (0.65) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL30429902 0.89 TFPI (0.68) TFPIGLP1RVIPR1NR3C1
SCHEMBL31725269 0.89 TFPI (0.59) TFPI
SCHEMBL30198602 0.89 TFPI (0.56) TFPIVIPR1
SCHEMBL30512629 0.88 TFPI (0.63) TFPIVIPR1EPHA2
SCHEMBL30974433 0.88 TFPI (0.60) TFPI
SCHEMBL29591183 0.88 TFPI (0.67) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL30974278 0.88 IL23R (0.62) TFPIGLP1RECE1MUS81NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437207-B Humanized anti-Hantavirus (HTNV) Fab antibody with neutralization activity and application thereof 中国人民解放军空军军医大学 2023-07-21 — — CN claimed
CN-114437207-B Humanized anti-Hantavirus (HTNV) Fab antibody with neutralization activity and application thereof 中国人民解放军空军军医大学 2023-07-21 — — CN disclosed
CN-114437207-A Humanized anti-Hantavirus (HTNV) Fab antibody with neutralization activity and application 中国人民解放军空军军医大学 2022-05-06 — — CN disclosed
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