SCHEMBL18009339

SCHEMBL18009339

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL18009451 0.89 MMP2 (0.35) —
SCHEMBL18007449 0.82 PIK3CD (0.36) PIK3CD
SCHEMBL18009194 0.79 PEPD (0.39) PIK3CD
SCHEMBL18009192 0.79 PIK3CD (0.36) PIK3CD
SCHEMBL18007441 0.78 PIN1 (0.35) PIK3CD
SCHEMBL18009372 0.76 PIK3CD (0.34) PIK3CD
SCHEMBL18009295 0.76 PIK3CD (0.34) PIK3CD
SCHEMBL18009338 0.76 PKM (0.34) PIK3CD
SCHEMBL18009205 0.76 — —
SCHEMBL18009453 0.75 — —

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
Send feedback