SCHEMBL13737833

SCHEMBL13737833

COC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(C#C[C@H]3C[C@@H]3CO)cc2)cc1)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ MINK1 Q8N4C8 1/20 0.30
▸ TNIK Q9UKE5 1/20 0.30
▸ ACACB O00763 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
SCHEMBL13831022 1.00 CD274 (0.31) CD274GPR119MAP4K4MINK1TNIK
SCHEMBL13737835 1.00 CD274 (0.31) CD274GPR119MAP4K4MINK1TNIK
SCHEMBL13831038 0.97 ACACB (0.31) ACACB
SCHEMBL16843260 0.91 ACACB (0.30) ACACB
SCHEMBL13738781 0.91 ACACB (0.30) ACACB
SCHEMBL13738780 0.91 ACACB (0.30) ACACB
SCHEMBL16840399 0.91 ACACB (0.30) ACACB
SCHEMBL13740661 0.91 ACACB (0.30) ACACB
SCHEMBL19102807 0.89 GABRB1 (0.31) —
SCHEMBL18100458 0.89 GABRB1 (0.31) —

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
EP-2638006-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Achaogen, Inc. (US) 2013-09-18 — — EP disclosed
WO-2012154204-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS ACHAOGEN, INC. (US) 2012-11-15 — — WO disclosed
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