SCHEMBL8434134

SCHEMBL8434134

O=C(O)/C(=C\c1cccc(CSc2c(F)cccc2F)n1)OCCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.46
TERT O14746 1/20 0.33
MAPT P10636 1/20 0.31
PPARG P37231 3/20 0.30
PPARA Q07869 3/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8430536 0.93 LTB4R (0.42) LTB4R
SCHEMBL8432882 0.90 LTB4R (0.57) LTB4RTERTMAPTKDM4EALDH1A1
SCHEMBL8430695 0.88 LTB4R (0.51) LTB4RTERTMAPT
SCHEMBL8434050 0.86 LTB4R (0.51) LTB4RTERTMAPT
SCHEMBL8434502 0.84 LTB4R (0.53) LTB4R
SCHEMBL8430558 0.82 LTB4R (0.55) LTB4RTERTCHRM5CHRM1ALDH1A1
SCHEMBL8432444 0.82 LTB4R (0.54) LTB4RTERTPPARG
SCHEMBL8434253 0.79 LTB4R (0.58) LTB4RTERTMAPT
SCHEMBL8434516 0.78 LTB4R (0.50) LTB4RTERT
SCHEMBL8434140 0.77 LTB4R (0.47) LTB4RTERTMAPTPPARGKDM4E

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