SCHEMBL7230501

SCHEMBL7230501

COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H](CNC(C)=O)[C@@H]1CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CACNA1H O95180 2/20 0.32
▸ MAPK1 P28482 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
SCHEMBL7230862 0.95 BTK (0.37) EPHX1TDP1KMT2AMEN1ALDH1A1
SCHEMBL7230514 0.95 BTK (0.37) EPHX1TDP1KMT2AMEN1ALDH1A1
SCHEMBL7232668 0.89 TDP1 (0.39) EPHX1TDP1KMT2AMEN1ALDH1A1
SCHEMBL7238413 0.87 BTK (0.35) EPHX1TDP1KMT2AMEN1ALDH1A1
SCHEMBL7232715 0.87 KMT2A (0.34) EPHX1TDP1KMT2AMEN1ALDH1A1
SCHEMBL7232674 0.84 BTK (0.37) EPHX1TDP1KMT2AMEN1ALDH1A1
SCHEMBL7231122 0.83 BTK (0.40) EPHX1KMT2ABTKMAOB
SCHEMBL7232725 0.82 BTK (0.34) EPHX1TDP1KMT2AMEN1ALDH1A1
SCHEMBL7233925 0.82 ASGR1 (0.34) —
SCHEMBL7238417 0.81 BTK (0.40) EPHX1KMT2ABTKMAOB

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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