SCHEMBL30544857

SCHEMBL30544857

NCCCC[C@H](NC(=O)n1cc(-c2ccccc2)nn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ FOLH1 Q04609 2/20 0.42
▸ MDM2 Q00987 5/20 0.41
▸ HDAC3 O15379 5/20 0.40
▸ HDAC4 P56524 5/20 0.40
▸ HDAC1 Q13547 5/20 0.40
▸ HDAC7 Q8WUI4 5/20 0.40
▸ HDAC2 Q92769 5/20 0.40
▸ HDAC10 Q969S8 5/20 0.40
▸ HDAC11 Q96DB2 5/20 0.40
▸ HDAC8 Q9BY41 5/20 0.40
▸ HDAC6 Q9UBN7 5/20 0.40
▸ HDAC9 Q9UKV0 5/20 0.40
▸ HDAC5 Q9UQL6 5/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.39
▸ MDM4 O15151 1/20 0.39

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
SCHEMBL30544867 0.91 SCN9A (0.43) MMP2MMP9FOLH1MDM2CA1
SCHEMBL30544869 0.80 FOLH1 (0.42) MMP2MMP9FOLH1CA1CA2
SCHEMBL30544861 0.77 MMP2 (0.46) MMP2MMP9FOLH1CA1CA2
SCHEMBL34467689 0.76 ALB (0.46) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30544859 0.73 FOLH1 (0.47) MMP2MMP9FOLH1CA1CA2
SCHEMBL30544860 0.73 FOLH1 (0.47) MMP2MMP9FOLH1CA1CA2
SCHEMBL10615102 0.72 GRIN1 (0.55) MMP2MMP9FOLH1CA1CA2
SCHEMBL31300250 0.71 KMT2A (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL607885 0.70 ITGB3 (0.60) MMP2MMP9FOLH1CA1CA2
SCHEMBL607886 0.70 ITGB3 (0.60) 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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