SCHEMBL4628658

SCHEMBL4628658

CCCCCC(O)c1ccc(CCS(=O)(=O)NCC#CCCCC(=O)O)cc1.CCCCCC(O)c1ccc(CCS(=O)(=O)NCCCCCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.44
EPHX2 P34913 2/20 0.43
PTGER2 P43116 4/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PTPN7 P35236 3/20 0.40
HMGCR P04035 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
S1PR2 O95136 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
SCHEMBL1471697 0.94 FFAR1 (0.43) LTB4RPTGER2FFAR1FFAR4PTPN7
SCHEMBL1471098 0.92 LTB4R (0.50) LTB4RPTGER2FFAR1FFAR4S1PR1
SCHEMBL5859870 0.81 ALDH1A1 (0.47) LTB4RPTGER2
SCHEMBL1471110 0.81 PTGER2 (0.43) LTB4RPTGER2S1PR1S1PR3PTGER4
SCHEMBL9453929 0.76 CYSLTR2 (0.61) LTB4RPTGER2FFAR1FFAR4S1PR1
SCHEMBL11601260 0.74 FFAR4 (0.65) PTGER2FFAR1FFAR4
SCHEMBL11602007 0.74 FFAR4 (0.65) PTGER2FFAR1FFAR4
SCHEMBL11599827 0.73 HMGCR (0.55) EPHX2FFAR1FFAR4PTPN7HMGCR
SCHEMBL12827664 0.73 S1PR1 (0.67) LTB4RPTGER2FFAR1FFAR4S1PR1
SCHEMBL4628656 0.72 PTGER2 (0.42) LTB4REPHX2PTGER2PTPN7HMGCR

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