SCHEMBL4633616

SCHEMBL4633616

CCCCCCCCCOc1ccc(CNC2CCC(OC(=O)O)(OC(=O)O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.47
S1PR1 P21453 6/20 0.46
S1PR3 Q99500 4/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL4633518 1.00 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
Hydrochloric Acid SCHEMBL4634609 0.99 S1PR5 (0.46) S1PR5S1PR1S1PR3TP53TSHR
SCHEMBL4634574 0.88 S1PR1 (0.50) S1PR5S1PR1S1PR3
SCHEMBL4633537 0.88 S1PR1 (0.50) S1PR5S1PR1S1PR3
SCHEMBL4633536 0.88 S1PR1 (0.50) S1PR5S1PR1S1PR3
SCHEMBL4634092 0.88 NAAA (0.42) S1PR5S1PR1S1PR3TSHR
SCHEMBL4295532 0.86 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
SCHEMBL4297659 0.86 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
Hydrochloric Acid SCHEMBL4293607 0.85 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
SCHEMBL4632564 0.84 S1PR2 (0.48) S1PR1S1PR3

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