SCHEMBL4634096

SCHEMBL4634096

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.51
S1PR1 P21453 9/20 0.51
S1PR3 Q99500 8/20 0.51
LPAR2 Q9HBW0 8/20 0.51
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
OPRK1 P41145 1/20 0.40
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL4633285 0.90 S1PR2 (0.50) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4633570 0.89 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4293994 0.88 S1PR2 (0.52) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4633302 0.84 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4633568 0.84 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4632564 0.84 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4633251 0.84 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4634024 0.81 MEN1 (0.48) S1PR2S1PR1S1PR3LPAR2KMT2A
SCHEMBL4634069 0.78 KDM1A (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2KDM1A
SCHEMBL4291153 0.78 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2KMT2A

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