SCHEMBL28039743

SCHEMBL28039743

O=[C]c1ccc(C#Cc2ccc([C@H](O)CCO)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
ACACB O00763 9/20 0.34
AOC3 Q16853 1/20 0.32
KMT2A Q03164 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
SCHEMBL28039490 0.91 FFAR1 (0.35) FFAR1ACACBKMT2A
SCHEMBL28039740 0.85 FFAR1 (0.38) FFAR1ACACBKMT2A
SCHEMBL28039529 0.85 FFAR1 (0.38) FFAR1ACACBKMT2A
SCHEMBL28039783 0.85 FFAR1 (0.38) FFAR1ACACBKMT2A
SCHEMBL28205270 0.82 BRD4 (0.33) AOC3
SCHEMBL28205825 0.82 BRD4 (0.33) AOC3
SCHEMBL28039508 0.76 ACACB (0.38) FFAR1ACACBAOC3
SCHEMBL13891122 0.76 CA12 (0.41)
SCHEMBL16070651 0.76 HDAC8 (0.34) AOC3
SCHEMBL16070643 0.76 HDAC8 (0.34) AOC3

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
CN-105073710-A Novel hydroxamic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-11-18 CN claimed
CN-105073710-A Novel hydroxamic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-11-18 CN disclosed