SCHEMBL4350872

SCHEMBL4350872

O=C(O)C1=C(c2ccccc2)CCCCC1.O=C(O)C1=C(c2ccccc2)CCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.65
SLC6A2 P23975 9/20 0.65
SLC6A4 P31645 1/20 0.65
DHODH Q02127 1/20 0.49
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
FGF23 Q9GZV9 1/20 0.42
PTGS2 P35354 1/20 0.42
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40

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
SCHEMBL1751676 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL4350863 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1752156 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1751614 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1752157 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1751726 0.96 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL10384372 0.87 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL4350867 0.85 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL17972851 0.84 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4FGF23PTGS2
SCHEMBL6692371 0.84 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4DHODHFGF23

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029541-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. Hoffmann-Roche AG (CH) 2009-03-04 EP claimed
WO-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO claimed