SCHEMBL4633285

SCHEMBL4633285

CCCCCCCCOc1c(C)cc(CNC2CCC(OC(=O)O)(OC(=O)O)C2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.50
S1PR1 P21453 9/20 0.50
S1PR3 Q99500 8/20 0.50
LPAR2 Q9HBW0 8/20 0.50
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MITF O75030 1/20 0.37
SRC P12931 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL4633570 0.90 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL4634096 0.90 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL4291153 0.88 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL4632564 0.85 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2KDM4E
SCHEMBL4633302 0.85 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2KDM4E
SCHEMBL4633251 0.85 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2KDM4E
SCHEMBL4634024 0.82 MEN1 (0.48) S1PR2S1PR1S1PR3LPAR2KDM4E
SCHEMBL4633518 0.79 S1PR5 (0.47) S1PR1S1PR3S1PR5
SCHEMBL4633616 0.79 S1PR5 (0.47) S1PR1S1PR3S1PR5
SCHEMBL4298459 0.78 S1PR2 (0.52) S1PR2S1PR1S1PR3LPAR2S1PR4

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
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP claimed