SCHEMBL7621168

SCHEMBL7621168

ICCc1ccc(OCCCCc2ccccc2)cc1.OCCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.61
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
S1PR1 P21453 4/20 0.53
S1PR3 Q99500 2/20 0.52
S1PR5 Q9H228 1/20 0.52
PLA2G4B P0C869 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48

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
SCHEMBL4165319 0.94 FFAR1 (0.69) FFAR1LTA4HEPHX2S1PR1S1PR3
SCHEMBL8500544 0.92 FFAR1 (0.67) FFAR1LTA4HEPHX2S1PR1S1PR3
SCHEMBL7619641 0.92 FFAR1 (0.66) FFAR1LTA4HEPHX2S1PR1S1PR3
SCHEMBL8498709 0.90 FFAR1 (0.64) FFAR1LTA4HEPHX2S1PR1S1PR3
SCHEMBL24041796 0.89 FFAR1 (0.68) FFAR1LTA4HEPHX2S1PR1S1PR3
SCHEMBL8767634 0.87 KCNA3 (0.61) FFAR1LTA4HEPHX2S1PR1TDP1
SCHEMBL4659369 0.85 LTA4H (0.73) FFAR1LTA4HEPHX2S1PR1S1PR3
SCHEMBL7625476 0.85 FFAR1 (0.58) FFAR1LTA4HEPHX2S1PR1S1PR3
SCHEMBL8422546 0.85 KCNA3 (0.64) FFAR1LTA4HALDH1A1CASP1DRD2
SCHEMBL7633059 0.83 FFAR1 (0.69) FFAR1LTA4HEPHX2S1PR1S1PR3

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-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed