SCHEMBL18594710

SCHEMBL18594710

C=C(C(CCCC)N(C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ CA1 P00915 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
SCHEMBL26153445 0.94 GRIK1 (0.33) CA2SLC1A2SLC1A1
SCHEMBL20992224 0.88 — —
SCHEMBL26153413 0.79 — —
SCHEMBL20849995 0.79 CA2 (0.38) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL18594713 0.78 MEN1 (0.31) —
SCHEMBL26153449 0.78 GRIK1 (0.32) CA2SLC1A2SLC1A1
SCHEMBL26836478 0.77 — —
SCHEMBL23801160 0.76 — —
SCHEMBL20870229 0.72 MAOB (0.30) —
SCHEMBL22031182 0.72 — —

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
US-9585970-B2 Site-specific labeling methods and molecules produced thereby NOVARTIS AG (CH) 2017-03-07 — — US disclosed
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