SCHEMBL5795112

SCHEMBL5795112

CCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)NC)C2)c(F)c1F.CCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)OC(C)C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.36
S1PR3 Q99500 7/20 0.36
S1PR4 O95977 5/20 0.36
S1PR5 Q9H228 1/20 0.36
S1PR2 O95136 5/20 0.34
CCR2 P41597 2/20 0.33
PLK1 P53350 1/20 0.32
SPHK1 Q9NYA1 6/20 0.32
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL5796612 0.91 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4295325 0.91 CNR2 (0.34) S1PR1S1PR3S1PR4S1PR5CCR2
SCHEMBL5795898 0.91 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5796623 0.91 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4294226 0.88 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4289641 0.88 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4288538 0.88 S1PR4 (0.34) S1PR1S1PR3S1PR4S1PR5PLK1
SCHEMBL4296381 0.88 S1PR4 (0.34) S1PR1S1PR3S1PR4S1PR5PLK1
SCHEMBL5795894 0.87 S1PR1 (0.34) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5800896 0.85 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5S1PR2

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-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO disclosed