SCHEMBL4628656

SCHEMBL4628656

CCCCCC(O)c1ccc(CN(CC#CCCCC(=O)O)S(C)(=O)=O)cc1.CCCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.42
EPHX2 P34913 1/20 0.41
PTPN7 P35236 3/20 0.40
LTB4R Q15722 1/20 0.40
HMGCR P04035 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
SCHEMBL1471694 0.95 PTGER2 (0.41) PTGER2PTPN7LTB4R
SCHEMBL1471097 0.90 PTGER2 (0.49) PTGER2LTB4R
SCHEMBL5725268 0.88 PTGER2 (0.46) PTGER2LTB4R
SCHEMBL5725576 0.80 CNR2 (0.51) PTGER2LTB4R
SCHEMBL1471278 0.79 CNR2 (0.53) PTGER2
SCHEMBL1471108 0.79 ALDH1A1 (0.47) PTGER2
SCHEMBL5725323 0.78 MAPT (0.44) LTB4R
SCHEMBL5726939 0.77 LMNA (0.45)
SCHEMBL14569238 0.76 S1PR1 (0.52)
SCHEMBL5724825 0.76 PTGER2 (0.49) PTGER2LTB4R

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-1917238-A2 SULFONAMIDES Allergan, Inc. (US) 2008-05-07 EP claimed
WO-2007024860-A2 SULFONAMIDES ALLERGAN, INC. (US) 2007-03-01 WO claimed