SCHEMBL8430702

SCHEMBL8430702

O=C(O)C(=COCCc1ccc(F)cc1)c1cccc(CSc2c(Cl)cc(Cl)cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.51
PTGER1 P34995 7/20 0.38
TERT O14746 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL8432889 0.94 LTB4R (0.57) LTB4RPTGER1TERTCYP1A2CYP3A4
SCHEMBL8434140 0.89 LTB4R (0.47) LTB4RPTGER1TERTMAPT
SCHEMBL8430563 0.88 LTB4R (0.55) LTB4RPTGER1TERTMRGPRX4
SCHEMBL8434056 0.88 LTB4R (0.51) LTB4RPTGER1MRGPRX4MAPT
SCHEMBL8434513 0.88 LTB4R (0.53) LTB4RPTGER1
SCHEMBL8432449 0.86 LTB4R (0.54) LTB4RPTGER1TERTMRGPRX4
SCHEMBL8430495 0.84 LTB4R (0.55) LTB4RPTGER1TERTMRGPRX4CYP1A2
SCHEMBL8430541 0.84 LTB4R (0.42) LTB4RPTGER1
SCHEMBL8434257 0.83 LTB4R (0.58) LTB4R
SCHEMBL8434474 0.81 LTB4R (0.56) LTB4RPTGER1TERT

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