SCHEMBL28039490

SCHEMBL28039490

O=[C]c1ccc(C#Cc2ccc(C(O)CCCO)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
ACACB O00763 11/20 0.33
KMT2A Q03164 1/20 0.30
PTGER2 P43116 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
SCHEMBL28039743 0.91 FFAR1 (0.36) FFAR1ACACBKMT2A
SCHEMBL28039529 0.84 FFAR1 (0.38) FFAR1ACACBKMT2A
SCHEMBL28039740 0.84 FFAR1 (0.38) FFAR1ACACBKMT2A
SCHEMBL28039783 0.84 FFAR1 (0.38) FFAR1ACACBKMT2A
SCHEMBL28205267 0.83 PTGER2 (0.30) PTGER2
SCHEMBL16070593 0.77 HDAC8 (0.33) PTGER2
SCHEMBL16070608 0.77 HDAC8 (0.33) PTGER2
SCHEMBL16070670 0.75 ACACB (0.32) FFAR1ACACBPTGER2
SCHEMBL28039508 0.75 ACACB (0.38) FFAR1ACACB
SCHEMBL16070610 0.74 CACNA2D1 (0.35) FFAR1ACACBKMT2APTGER2

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