SCHEMBL8601943

SCHEMBL8601943

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
CA2 P00918 2/20 0.50
FFAR1 O14842 2/20 0.50
CA1 P00915 1/20 0.50
EPHX1 P07099 1/20 0.48
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
LAP3 P28838 1/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL8603095 1.00 GPR84 (0.50) GPR84CA2FFAR1CA1EPHX1
SCHEMBL9000227 1.00 GPR84 (0.50) GPR84CA2FFAR1CA1EPHX1
SCHEMBL5983401 1.00 GPR84 (0.50) GPR84CA2FFAR1CA1EPHX1
SCHEMBL10499515 1.00 GPR84 (0.50) GPR84CA2FFAR1CA1EPHX1
SCHEMBL8626076 1.00 GPR84 (0.50) GPR84CA2FFAR1CA1EPHX1
SCHEMBL11725546 1.00 GPR84 (0.50) GPR84CA2FFAR1CA1EPHX1
SCHEMBL8600274 1.00 GPR84 (0.50) GPR84CA2FFAR1CA1EPHX1
SCHEMBL3351481 0.98 CA1 (0.52) GPR84CA2FFAR1CA1EPHX1
SCHEMBL3657396 0.91 GPR84 (0.57) GPR84CA2FFAR1CA1EPHX1
SCHEMBL2121622 0.91 GPR84 (0.57) GPR84CA2FFAR1CA1EPHX1

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
WO-1997018243-A9 SACCHARIDE SURFACTANTS 1998-08-06 WO disclosed
WO-1997018243-A1 SACCHARIDE SURFACTANTS CASE WESTERN RESERVE UNIVERSITY (US) 1997-05-22 WO disclosed