SCHEMBL18594713

SCHEMBL18594713

C=C(C(CCC(C)C)N(C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL19487963 0.82 — —
SCHEMBL20992224 0.82 — —
SCHEMBL19487158 0.80 — —
SCHEMBL18594710 0.78 CA2 (0.31) —
SCHEMBL26836478 0.78 — —
SCHEMBL26153445 0.77 GRIK1 (0.33) —
SCHEMBL26153413 0.77 — —
SCHEMBL24877021 0.74 — —
SCHEMBL20870229 0.73 MAOB (0.30) —
SCHEMBL18681221 0.72 MEN1 (0.35) MEN1CYP3A4ALOX15KMT2A

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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