SCHEMBL18007442

SCHEMBL18007442

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.33
▸ MMP2 P08253 1/20 0.31
▸ ANPEP P15144 1/20 0.31

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
SCHEMBL18009301 1.00 ATM (0.33) ATMMMP2ANPEP
SCHEMBL18007459 0.92 MMP2 (0.34) MMP2ANPEP
SCHEMBL18009299 0.81 PIK3CD (0.30) —
SCHEMBL18009464 0.80 MMP2 (0.35) ATMMMP2ANPEP
SCHEMBL18007433 0.80 MMP2 (0.35) ATMMMP2ANPEP
SCHEMBL18007443 0.79 MMP2 (0.36) MMP2
SCHEMBL18007439 0.76 MMP2 (0.38) ATMMMP2ANPEP
SCHEMBL18009210 0.76 — —
SCHEMBL18009450 0.74 ATM (0.47) ATMMMP2ANPEP
SCHEMBL18009204 0.74 MMP2 (0.37) ATMMMP2ANPEP

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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