SCHEMBL18007459

SCHEMBL18007459

COCCN(CCOC)C(=O)[C@@H]1C[C@@H](OC(=O)/C=C/C(=O)OC)CN1C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ KEAP1 Q14145 1/20 0.30
▸ NFE2L2 Q16236 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL18007442 0.92 ATM (0.33) MMP2ANPEP
SCHEMBL18009301 0.92 ATM (0.33) MMP2ANPEP
SCHEMBL18009299 0.89 PIK3CD (0.30) —
SCHEMBL18009464 0.88 MMP2 (0.35) MMP2ANPEPKEAP1NFE2L2HCAR2
SCHEMBL18007433 0.88 MMP2 (0.35) MMP2ANPEPKEAP1NFE2L2HCAR2
SCHEMBL18007443 0.85 MMP2 (0.36) MMP2KMT2A
SCHEMBL18007439 0.84 MMP2 (0.38) MMP2ANPEPKEAP1NFE2L2HCAR2
SCHEMBL18009210 0.83 — —
SCHEMBL18009204 0.81 MMP2 (0.37) MMP2ANPEPKMT2A
SCHEMBL18009458 0.80 MMP2 (0.54) MMP2ANPEPKEAP1NFE2L2HCAR2

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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