SCHEMBL28039740

SCHEMBL28039740

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ACACB O00763 9/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL28039529 1.00 FFAR1 (0.38) FFAR1CYP3A4TSHRACACBKMT2A
SCHEMBL28039783 1.00 FFAR1 (0.38) FFAR1CYP3A4TSHRACACBKMT2A
SCHEMBL28039743 0.85 FFAR1 (0.36) FFAR1ACACBKMT2A
SCHEMBL28039490 0.84 FFAR1 (0.35) FFAR1ACACBKMT2A
SCHEMBL28148773 0.81 CYP3A4 (0.34) FFAR1CYP3A4TSHRACACBSMN1; SMN2
SCHEMBL28205264 0.81 CYP3A4 (0.34) FFAR1CYP3A4TSHRACACBSMN1; SMN2
SCHEMBL28148769 0.81 CYP3A4 (0.34) FFAR1CYP3A4TSHRACACBSMN1; SMN2
SCHEMBL28039508 0.79 ACACB (0.38) FFAR1ACACB
SCHEMBL28039509 0.76 FFAR1 (0.43) FFAR1ACACB
SCHEMBL28039510 0.76 FFAR1 (0.43) FFAR1ACACB

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