SCHEMBL8434140

SCHEMBL8434140

O=C(O)C(=COCCc1ccc(F)cc1)c1cccc(CSc2c(F)cccc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.47
PTGER1 P34995 2/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
MAPT P10636 1/20 0.32
TERT O14746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30
LMNA P02545 1/20 0.30
SLC12A2 P55011 1/20 0.30
SLC12A5 Q9H2X9 1/20 0.30

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
SCHEMBL8430541 0.94 LTB4R (0.42) LTB4RPTGER1
SCHEMBL8432889 0.91 LTB4R (0.57) LTB4RPTGER1MAPTTERTKDM4E
SCHEMBL8430702 0.89 LTB4R (0.51) LTB4RPTGER1MAPTTERT
SCHEMBL8434056 0.87 LTB4R (0.51) LTB4RPTGER1MAPT
SCHEMBL8434513 0.85 LTB4R (0.53) LTB4RPTGER1
SCHEMBL8430563 0.83 LTB4R (0.55) LTB4RPTGER1TERTKDM4E
SCHEMBL8432449 0.83 LTB4R (0.54) LTB4RPTGER1TERTALOX5PPARG
SCHEMBL8430495 0.81 LTB4R (0.55) LTB4RPTGER1CNR2MAPTTERT
SCHEMBL8434257 0.80 LTB4R (0.58) LTB4RALDH1A1
SCHEMBL8434525 0.79 LTB4R (0.50) LTB4R

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
US-5929096-A TREATING DISEASES ATTRIBUTING THEIR ORIGIN OR AFFECT TO LEUKOTRIENES, ANTIALLERGENS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed