SCHEMBL30544861

SCHEMBL30544861

NCCCC[C@H](NC(=O)n1ncc(-c2ccccc2)n1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ FOLH1 Q04609 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ CPB2 Q96IY4 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ ERAP2 Q6P179 2/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.37
▸ ECE1 P42892 1/20 0.37
▸ CPB1 P15086 1/20 0.37
▸ TLR2 O60603 1/20 0.36

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
SCHEMBL30544866 0.85 FOLH1 (0.37) MMP2MMP9FOLH1CA1CA2
SCHEMBL30544862 0.82 FOLH1 (0.36) MMP2MMP9FOLH1CA1CA2
SCHEMBL30544854 0.77 FOLH1 (0.51) MMP2MMP9FOLH1CA1CA2
SCHEMBL30544857 0.77 MMP2 (0.46) MMP2MMP9FOLH1CA1CA2
SCHEMBL34467664 0.76 NOS1 (0.41) DAGLA
SCHEMBL10615102 0.72 GRIN1 (0.55) MMP2MMP9FOLH1CA1CA2
SCHEMBL31300267 0.72 NOS1 (0.43) DAGLA
SCHEMBL607885 0.70 ITGB3 (0.60) MMP2MMP9FOLH1CA1CA2
SCHEMBL607886 0.70 ITGB3 (0.60) MMP2MMP9FOLH1CA1CA2
SCHEMBL6810906 0.70 HPGDS (0.64) MMP2MMP9FOLH1CA1CA2

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
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