SCHEMBL28844839

SCHEMBL28844839

COC[C@@H](O)c1ccc(C(C(C)=O)c2ccc([C]=O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.35
ACACB O00763 9/20 0.32
AOC3 Q16853 1/20 0.32
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28205305 1.00 PYGL (0.35) PYGLACACBAOC3LMNAPOLB
SCHEMBL28039508 0.84 ACACB (0.38) PYGLACACBAOC3
SCHEMBL28205264 0.83 CYP3A4 (0.34) ACACB
SCHEMBL28148769 0.83 CYP3A4 (0.34) ACACB
SCHEMBL28148773 0.83 CYP3A4 (0.34) ACACB
SCHEMBL28205270 0.81 BRD4 (0.33) AOC3
SCHEMBL28205825 0.81 BRD4 (0.33) AOC3
SCHEMBL28205267 0.79 PTGER2 (0.30)
SCHEMBL28205272 0.78 NOS3 (0.37) ACACB
SCHEMBL28205269 0.78 NOS3 (0.37) ACACB

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
CN-106794160-A Pharmaceutical composition containing new hydroxamic acid derivative or its salt 富山化学工业株式会社 2017-05-31 CN claimed