SCHEMBL31442251

SCHEMBL31442251

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 5/20 0.46
▸ GHSR Q92847 2/20 0.45
▸ ECE1 P42892 3/20 0.44
▸ NMBR P28336 2/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ IL23R Q5VWK5 1/20 0.41

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
SCHEMBL31442128 0.91 GHSR (0.54) GHSRECE1MMP2MMP9MMP8
SCHEMBL31442235 0.87 GHSR (0.57) GHSRECE1MMP2MMP9MMP8
SCHEMBL31442166 0.86 GHSR (0.51) GRPRGHSRECE1MMP2MMP9
SCHEMBL34420052 0.86 GHSR (0.58) GHSR
SCHEMBL31442242 0.85 GHSR (0.53) GHSRMMP2MMP9MMP8
SCHEMBL31442193 0.85 GHSR (0.46) GHSR
SCHEMBL31018989 0.84 GHSR (0.58) GHSRECE1NMBRMMP9MMP8
SCHEMBL30381536 0.83 GHSR (0.50) GRPRGHSRNMBR
SCHEMBL31442238 0.83 GHSR (0.55) GRPRGHSR
SCHEMBL31442185 0.83 GHSR (0.54) GHSRECE1

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
US-12234299-B2 Peptides for inducing bacteriocin synthesis and methods to identify and/or select and/or optimize the same SYNGULON S.A. (BE) 2025-02-25 — — US disclosed
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