SCHEMBL4633302

SCHEMBL4633302

CCCCCCCCOc1ccc(CNC2CCC(OC(=O)O)(OC(=O)O)C2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4633251 1.00 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4632564 1.00 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4634024 0.97 MEN1 (0.48) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4633568 0.89 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4286993 0.88 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4294295 0.88 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4291911 0.88 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4633285 0.85 S1PR2 (0.50) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4633570 0.84 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL4634096 0.84 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2MEN1

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