SCHEMBL7230862

SCHEMBL7230862

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.37
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ACACB O00763 4/20 0.31
▸ ACACA Q13085 3/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30

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
SCHEMBL7230514 1.00 BTK (0.37) BTKKMT2AMEN1GAAEPHX1
SCHEMBL7230501 0.95 EPHX1 (0.36) BTKKMT2AMEN1GAAEPHX1
SCHEMBL7232674 0.90 BTK (0.37) BTKKMT2AMEN1GAAEPHX1
SCHEMBL7232725 0.88 BTK (0.34) BTKKMT2AMEN1GAAEPHX1
SCHEMBL7238417 0.86 BTK (0.40) BTKKMT2AEPHX1CTSSCTSK
SCHEMBL7231122 0.86 BTK (0.40) BTKKMT2AEPHX1CTSSCTSK
SCHEMBL7232668 0.84 TDP1 (0.39) BTKKMT2AMEN1GAAEPHX1
SCHEMBL7231844 0.82 ASGR1 (0.33) —
SCHEMBL7233933 0.82 ASGR1 (0.33) —
SCHEMBL7232715 0.82 KMT2A (0.34) KMT2AMEN1GAAEPHX1TDP1

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