SCHEMBL7231092

SCHEMBL7231092

CC(=O)N[C@@H](CC(C)C)[C@@H]1O[C@@H](C(=O)OC(C)(C)C)C[C@H]1c1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL7231693 0.87 — —
SCHEMBL7232763 0.82 POLB (0.34) POLBNPSR1TDP1MEN1ALDH1A1
SCHEMBL7230182 0.82 POLB (0.34) POLBNPSR1TDP1MEN1ALDH1A1
SCHEMBL6693733 0.81 — —
SCHEMBL7848573 0.75 HTT (0.32) —
SCHEMBL7230216 0.75 HTT (0.32) —
SCHEMBL7682461 0.75 KMT2A (0.36) POLBNPSR1TDP1MEN1ALDH1A1
SCHEMBL6700319 0.75 KMT2A (0.36) POLBNPSR1TDP1MEN1ALDH1A1
SCHEMBL7237675 0.73 — —
SCHEMBL7231142 0.73 — —

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-6518305-B1 For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase ABBOTT LABORATORIES 2003-02-11 — — US disclosed
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