SCHEMBL8430558

SCHEMBL8430558

O=C(O)/C(=C\c1cccc(CSc2c(Cl)cccc2Cl)n1)OCCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.55
TERT O14746 2/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1I2 O75469 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
SCHEMBL8432444 0.94 LTB4R (0.54) LTB4RTERTESR1
SCHEMBL8432882 0.92 LTB4R (0.57) LTB4RTERTALDH1A1
SCHEMBL8434253 0.91 LTB4R (0.58) LTB4RTERT
SCHEMBL8434470 0.88 LTB4R (0.56) LTB4RTERTALDH1A1LMNA
SCHEMBL8430695 0.88 LTB4R (0.51) LTB4RTERT
SCHEMBL8430525 0.87 LTB4R (0.53) LTB4RL3MBTL1LMNA
SCHEMBL8434175 0.87 LTB4R (0.43) LTB4RTERTCHRM5CHRM1
SCHEMBL8434172 0.87 LTB4R (0.43) LTB4RTERTCHRM5CHRM1
SCHEMBL8434050 0.86 LTB4R (0.51) LTB4RTERT
SCHEMBL8434502 0.86 LTB4R (0.53) 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