SCHEMBL28754635

SCHEMBL28754635

C=CC(CCCCCCCCCCC)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
FFAR1 O14842 1/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
LAP3 P28838 1/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOAT1 P35610 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIK1 P39086 1/20 0.40

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
SCHEMBL4457882 1.00 GPR84 (0.42) GPR84CA2CA1FFAR1EPHX1
SCHEMBL7788154 1.00 GPR84 (0.42) GPR84CA2CA1FFAR1EPHX1
SCHEMBL4474432 1.00 GPR84 (0.42) GPR84CA2CA1FFAR1EPHX1
SCHEMBL13493335 0.98 CA1 (0.44) GPR84CA2CA1FFAR1EPHX1
SCHEMBL3862597 0.92 CA2 (0.50) CA2CA1EPHX1MEN1FAAH
SCHEMBL11859443 0.84 GPR84 (0.45) GPR84CA2FFAR1MAPTLCK
SCHEMBL11856893 0.84 GPR84 (0.45) GPR84CA2FFAR1MAPTLCK
SCHEMBL11870087 0.84 GPR84 (0.45) GPR84CA2FFAR1MAPTLCK
SCHEMBL11855834 0.84 GPR84 (0.45) GPR84CA2FFAR1MAPTLCK
SCHEMBL8011567 0.84

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 CN disclosed
CN-101367854-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2010-12-29 CN disclosed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN disclosed
CN-101367854-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-02-18 CN disclosed
CN-101289484-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 CN disclosed
CN-101289483-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 CN disclosed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN disclosed