SCHEMBL5800896

SCHEMBL5800896

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.37
S1PR3 Q99500 7/20 0.37
S1PR4 O95977 5/20 0.37
S1PR5 Q9H228 1/20 0.37
S1PR2 O95136 5/20 0.34
CCR2 P41597 2/20 0.33
SPHK1 Q9NYA1 7/20 0.33
PLK1 P53350 1/20 0.33
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 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
SCHEMBL4294299 0.90 CNR2 (0.35) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4290777 0.89 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5794199 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4300355 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4288232 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4296372 0.86 CNR2 (0.37) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL4288231 0.86 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5795055 0.86 SPHK1 (0.37) CCR2SPHK1POLBPKMLMNA
SCHEMBL5795112 0.85 S1PR1 (0.36) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL5796623 0.85 S1PR1 (0.38) 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 1 patent. 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