SCHEMBL30544869

SCHEMBL30544869

CC(C)(C)c1cn(C(=O)N[C@@H](CCCCN)C(=O)O)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.42
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SLC15A2 Q16348 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.37
▸ CPB2 Q96IY4 5/20 0.37
▸ DGAT1 O75907 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ CPB1 P15086 1/20 0.34

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
SCHEMBL30544857 0.80 MMP2 (0.46) FOLH1CA1CA2MMP2MMP9
SCHEMBL30544867 0.77 SCN9A (0.43) FOLH1CA1CA2MMP2MMP9
SCHEMBL34467662 0.74 OTC (0.36) —
SCHEMBL30544860 0.74 FOLH1 (0.47) FOLH1CA1CA2MMP2MMP9
SCHEMBL30544859 0.74 FOLH1 (0.47) FOLH1CA1CA2MMP2MMP9
SCHEMBL23386738 0.70 DGAT1 (0.68) FOLH1DGAT1
SCHEMBL30544854 0.70 FOLH1 (0.51) FOLH1CA1CA2MMP2MMP9
SCHEMBL22689972 0.69 FOLH1 (0.54) FOLH1CA1CA2MMP2MMP9
SCHEMBL13049083 0.69 FOLH1 (0.57) FOLH1CA1CA2MMP2MMP9
SCHEMBL29187387 0.69 FOLH1 (0.57) FOLH1CA1CA2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4496837-A2 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF The Research Foundation for The State University of New York (US) 2025-01-29 — — EP disclosed
WO-2023178107-A2 ORTHOGONALLY CROSSLINKED PROTEINS, METHODS OF MAKING, AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-09-21 — — WO disclosed
Send feedback