SCHEMBL18009451

SCHEMBL18009451

COC(=O)/C=C/C(=O)O[C@@H]1C[C@@H](C(=O)n2ccnn2)N(C(C)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.35
▸ ANPEP P15144 4/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.33
▸ ATM Q13315 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
SCHEMBL18009339 0.89 PIK3CD (0.32) —
SCHEMBL18007449 0.86 PIK3CD (0.36) MMP2ANPEPHRH3
SCHEMBL18009205 0.79 — —
SCHEMBL18009453 0.79 — —
SCHEMBL18009450 0.78 ATM (0.47) MMP2ANPEPATM
SCHEMBL18009458 0.78 MMP2 (0.54) MMP2ANPEPATM
SCHEMBL18009463 0.77 MMP2 (0.42) MMP2ANPEPATM
SCHEMBL18009202 0.77 MMP2 (0.42) MMP2ANPEPATM
SCHEMBL18009330 0.75 HRH3 (0.38) MMP2ANPEPHRH3
SCHEMBL18007446 0.75 HRH3 (0.38) MMP2ANPEPHRH3

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
WO-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 — — WO disclosed
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