SCHEMBL20718952

SCHEMBL20718952

O=C1CC(C(=O)O)N(I)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.36
▸ ANPEP P15144 2/20 0.36
▸ ITGB1 P05556 1/20 0.30
▸ ITGA5 P08648 1/20 0.30

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
SCHEMBL2576147 0.74 MMP2 (0.36) MMP2ANPEPITGB1ITGA5
SCHEMBL8274408 0.74 MMP2 (0.36) MMP2ANPEPITGB1ITGA5
SCHEMBL1250785 0.74 MMP2 (0.36) MMP2ANPEPITGB1ITGA5
SCHEMBL6921106 0.74 MMP2 (0.36) MMP2ANPEPITGB1ITGA5
SCHEMBL8271330 0.74 MMP2 (0.36) MMP2ANPEPITGB1ITGA5
SCHEMBL10137597 0.74 MMP2 (0.40) MMP2ANPEPITGB1ITGA5
SCHEMBL13688455 0.74 MMP2 (0.40) MMP2ANPEPITGB1ITGA5
SCHEMBL30940344 0.71 ACE (0.50) —
SCHEMBL14366038 0.71 KMT2A (0.37) MMP2ANPEP
SCHEMBL11168789 0.71 ATM (0.44) MMP2ANPEPITGB1ITGA5

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
EP-2864337-B1 ANTIMICROBIAL COMPOUNDS UNIV OXFORD INNOVATION LTD (GB) 2019-02-13 — — EP disclosed
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