SCHEMBL4634574

SCHEMBL4634574

CCCCCCCCc1ccc(CNC2CCC(OC(=O)O)(OC(=O)O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.50
S1PR3 Q99500 10/20 0.50
S1PR4 O95977 7/20 0.50
S1PR5 Q9H228 3/20 0.50
S1PR2 O95136 5/20 0.44
HAO1 Q9UJM8 1/20 0.43
SPHK1 Q9NYA1 3/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
PLK1 P53350 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
SCHEMBL4633536 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4633537 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4634589 0.93 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5S1PR2
Hydrochloric Acid SCHEMBL4665136 0.92 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4633518 0.88 S1PR5 (0.47) S1PR1S1PR3S1PR5
SCHEMBL4633616 0.88 S1PR5 (0.47) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL4634609 0.87 S1PR5 (0.46) S1PR1S1PR3S1PR5
SCHEMBL4634092 0.84 NAAA (0.42) S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL4296871 0.84 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4291859 0.84 S1PR1 (0.52) 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
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP claimed