SCHEMBL8430563

SCHEMBL8430563

O=C(O)C(=COCCc1ccc(Cl)cc1)c1cccc(CSc2c(Cl)cccc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.55
MRGPRX4 Q96LA9 3/20 0.37
PTGER1 P34995 6/20 0.35
TERT O14746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL8432449 0.94 LTB4R (0.54) LTB4RMRGPRX4PTGER1TERT
SCHEMBL8432889 0.92 LTB4R (0.57) LTB4RPTGER1TERTKDM4E
SCHEMBL8434257 0.91 LTB4R (0.58) LTB4R
SCHEMBL8434474 0.88 LTB4R (0.56) LTB4RPTGER1TERT
SCHEMBL8430702 0.88 LTB4R (0.51) LTB4RMRGPRX4PTGER1TERT
SCHEMBL8430532 0.87 LTB4R (0.53) LTB4RMRGPRX4TERTL3MBTL1
SCHEMBL8434178 0.87 LTB4R (0.43) LTB4RTERT
SCHEMBL8434056 0.86 LTB4R (0.51) LTB4RMRGPRX4PTGER1
SCHEMBL8434513 0.86 LTB4R (0.53) LTB4RPTGER1
SCHEMBL8430615 0.85 LTB4R (0.60) 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