SCHEMBL6212936

SCHEMBL6212936

CCCCC(CC(=O)O)N1CCSC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.40
DPP7 Q9UHL4 6/20 0.35
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11844785 0.79 GPR84 (0.42) GPR84CA2MAPK1
SCHEMBL20141889 0.79 GPR84 (0.42) GPR84FFAR4FFAR1CA2MAPK1
SCHEMBL499960 0.75 POLB (0.40) GPR84MAPK1
SCHEMBL6214649 0.73 HTT (0.38) GPR84CA2MAPK1
SCHEMBL5140381 0.70 DPP7 (0.37) DPP7DPP4DPP8DPP9
SCHEMBL21140634 0.70 FDPS (0.35) GPR84FFAR1
SCHEMBL19942664 0.70 FDPS (0.35) GPR84FFAR1
SCHEMBL20988033 0.68 DPP4 (0.37) DPP7DPP4DPP8DPP9
SCHEMBL10611419 0.68 DPP4 (0.33) DPP7DPP4DPP8DPP9
SCHEMBL500539 0.66 KDM4E (0.44) DPP7DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545517-A1 OXAZOLIDIN-2-ONE AND THIAZOLIDIN-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF GLAUCOMA Merck Frosst Canada & Co. (CA) 2005-06-29 EP claimed
WO-2004019938-A1 OXAZOLIDIN-2-ONE AND THIAZOLIDIN-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF GLAUCOMA MERCK FROSST CANADA & CO. (CA) 2004-03-11 WO claimed
EP-1545517-A1 OXAZOLIDIN-2-ONE AND THIAZOLIDIN-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF GLAUCOMA Merck Frosst Canada & Co. (CA) 2005-06-29 EP disclosed
WO-2004019938-A1 OXAZOLIDIN-2-ONE AND THIAZOLIDIN-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF GLAUCOMA MERCK FROSST CANADA & CO. (CA) 2004-03-11 WO disclosed