Sugi Predict

Sugi Predict / Compounds / SCHEMBL29395807

SCHEMBL29395807

SCHEMBL29395807

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.64
▸ NMUR2 Q9GZQ4 4/20 0.63
▸ NMUR1 Q9HB89 4/20 0.63
▸ EPHA2 P29317 2/20 0.61
▸ MAOB P27338 1/20 0.61
▸ KDM5A P29375 1/20 0.61
▸ KDM1B Q8NB78 1/20 0.61
▸ TFPI P10646 6/20 0.61
▸ RAMP3 O60896 1/20 0.59
▸ CALCR P30988 1/20 0.59
▸ NPY2R P49146 3/20 0.59
▸ NPY4R P50391 3/20 0.59
▸ NPY5R Q15761 3/20 0.59
▸ NPY1R P25929 2/20 0.59

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
SCHEMBL29554996 0.92 NMUR2 (0.65) KDM1ANMUR2NMUR1EPHA2MAOB
SCHEMBL31307252 0.92 EPHA2 (0.63) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL31031546 0.92 KDM1A (0.67) KDM1ANMUR2NMUR1MAOBKDM5A
SCHEMBL30512776 0.91 KDM1A (0.61) KDM1ANMUR2NMUR1EPHA2MAOB
SCHEMBL30402818 0.91 NMUR2 (0.66) KDM1ANMUR2NMUR1EPHA2RAMP3
SCHEMBL31187483 0.91 NMUR2 (0.63) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31031455 0.90 KDM1A (0.65) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL31575684 0.90 KDM1A (0.56) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL30432811 0.89 NPY2R (0.60) KDM1AEPHA2MAOBKDM5AKDM1B
SCHEMBL31452903 0.89 EPHA2 (0.62) KDM1ANMUR2NMUR1EPHA2TFPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114053400-B Vaccine for preventing novel coronavirus pneumonia COVID-19 and preparation method thereof 辽宁成大生物股份有限公司 2023-12-26 — — CN disclosed
CN-114057852-B Polypeptide for preventing novel coronavirus pneumonia COVID-19 and application thereof 清华大学 2023-11-21 — — CN disclosed
CN-114057852-A Polypeptide for preventing novel coronavirus pneumonia COVID-19 and application thereof 清华大学 2022-02-18 — — CN disclosed
CN-114053400-A Vaccine for preventing novel coronavirus pneumonia COVID-19 and preparation method thereof 辽宁成大生物股份有限公司 2022-02-18 — — CN disclosed
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