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Sugi Predict / Compounds / SCHEMBL30111330

SCHEMBL30111330

SCHEMBL30111330

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.66
▸ MAOB P27338 1/20 0.62
▸ KDM5A P29375 1/20 0.62
▸ KDM1B Q8NB78 1/20 0.62
▸ TFPI P10646 4/20 0.62
▸ CALCR P30988 4/20 0.61
▸ NPY2R P49146 7/20 0.60
▸ NPY4R P50391 7/20 0.60
▸ NPY5R Q15761 7/20 0.60
▸ NPY1R P25929 5/20 0.60
▸ F2 P00734 1/20 0.58

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
SCHEMBL30017187 0.93 NPY2R (0.64) TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL30974100 0.91 TFPI (0.66) TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL29424820 0.90 TFPI (0.68) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29629341 0.90 TFPI (0.68) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29533701 0.90 TFPI (0.68) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL31005066 0.90 TFPI (0.66) TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL30658402 0.89 NPY2R (0.68) KDM1ATFPICALCRNPY2RNPY4R
SCHEMBL31005079 0.89 TFPI (0.67) TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL30974483 0.89 TFPI (0.64) TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL29973299 0.88 TFPI (0.66) KDM1ATFPICALCRNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565258-A2 COMPOSITIONS FOR THE TREATMENT OF DISEASE Sightstream Biotherapeutics, Inc. (US) 2025-06-11 — — EP disclosed
US-20240263161-A1 PEPTIDES WITH MUCIN-BINDING PROPERTIES UNIVERSITY OF COPENHAGEN (DK) 2024-08-08 — — US disclosed
EP-4347624-A1 PEPTIDES WITH MUCIN-BINDING PROPERTIES University of Copenhagen (DK) 2024-04-10 — — EP disclosed
WO-2024030950-A2 COMPOSITIONS FOR THE TREATMENT OF DISEASE SIGHTSTREAM BIOTHERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
US-20220397576-A1 APPARATUSES AND METHODS FOR DETECTION OF PANCREATIC CANCER Reccan AB (SE) 2022-12-15 — — US disclosed
WO-2022253998-A1 PEPTIDES WITH MUCIN-BINDING PROPERTIES UNIVERSITY OF COPENHAGEN (DK) 2022-12-08 — — WO disclosed
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