SCHEMBL30544867

SCHEMBL30544867

NCCCC[C@H](NC(=O)n1cc(-c2ccc(F)cc2)nn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.43
▸ FOLH1 Q04609 8/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MDM2 Q00987 5/20 0.38
▸ SHMT1 P34896 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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 0.91 MMP2 (0.46) FOLH1MMP2MMP9MDM2CA1
SCHEMBL34467672 0.77 ALB (0.38) FOLH1
SCHEMBL30544869 0.77 FOLH1 (0.42) FOLH1MMP2MMP9CA1CA2
SCHEMBL31300275 0.72 DPP4 (0.38) CA1CA2
SCHEMBL34467675 0.70 TDP1 (0.43) SCN9AMDM2
SCHEMBL4600137 0.69 FOLH1 (0.63) FOLH1CA1CA2
SCHEMBL30544860 0.69 FOLH1 (0.47) FOLH1MMP2MMP9CA1CA2
SCHEMBL4600141 0.69 FOLH1 (0.63) FOLH1CA1CA2
SCHEMBL30544859 0.69 FOLH1 (0.47) FOLH1MMP2MMP9CA1CA2
SCHEMBL4600549 0.69 GPR34 (0.57) —

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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