SCHEMBL3926977

SCHEMBL3926977

CC(=O)OOc1ccc(F)cc1Oc1ccc(N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESRRA P11474 2/20 0.34
SCN8A Q9UQD0 4/20 0.34
SCN10A Q9Y5Y9 4/20 0.34
PNLIP P16233 2/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL3926982 0.87 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4ALDH1A1POLB
SCHEMBL27692981 0.80 NPC1 (0.42) SLC6A2SLC6A3SLC6A4ALDH1A1POLB
SCHEMBL1333574 0.79 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4ALDH1A1GAA
SCHEMBL1333707 0.78 CA1 (0.52) SLC6A2SLC6A3SLC6A4HPGDPNLIP
SCHEMBL1333750 0.77 PTGDR2 (0.53)
SCHEMBL3248291 0.74 SCN9A (0.37) SLC6A2SLC6A3SLC6A4ALDH1A1POLB
SCHEMBL5755250 0.74 KDM4E (0.46) ALDH1A1POLBGAAHPGDL3MBTL1
SCHEMBL28365688 0.74 MAPK1 (0.38) ALDH1A1GAA
SCHEMBL1959633 0.74 MAOA (0.46) SLC6A2SLC6A3ALDH1A1POLBGAA
SCHEMBL1964539 0.72 CYP3A4 (0.56) SLC6A2SLC6A3SLC6A4ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO disclosed