SCHEMBL31442242

SCHEMBL31442242

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.53
▸ KISS1R Q969F8 2/20 0.51
▸ IL1RN P18510 2/20 0.50
▸ ERAP2 Q6P179 2/20 0.50
▸ ERAP1 Q9NZ08 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49

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
SCHEMBL31442235 0.96 GHSR (0.57) GHSRKISS1RMMP2MMP9MMP8
SCHEMBL31442126 0.93 GHSR (0.54) GHSRKISS1RIL1RNERAP2ERAP1
SCHEMBL31442128 0.93 GHSR (0.54) GHSRKISS1RMMP2MMP9MMP8
SCHEMBL31442124 0.92 GHSR (0.52) GHSRKISS1RIL1RNERAP2ERAP1
SCHEMBL31442238 0.91 GHSR (0.55) GHSRKISS1RIL1RNERAP2ERAP1
SCHEMBL31442166 0.91 GHSR (0.51) GHSRERAP2MMP2MMP9MMP8
SCHEMBL31442130 0.90 GHSR (0.55) GHSRKISS1RMMP2MMP9MMP8
SCHEMBL31442154 0.89 GHSR (0.56) GHSR
SCHEMBL31442345 0.89 GHSR (0.58) GHSRKISS1RMMP2MMP9MMP8
SCHEMBL31018989 0.88 GHSR (0.58) GHSRMMP9MMP8

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
Send feedback