SCHEMBL8430495

SCHEMBL8430495

O=C(O)C(=COCc1ccc(F)cc1)c1cccc(CSc2c(Cl)cccc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.55
PTGER1 P34995 6/20 0.41
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TERT O14746 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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 0.90 LTB4R (0.57) LTB4RPTGER1CYP1A2CYP3A4CYP2C9
SCHEMBL8434513 0.88 LTB4R (0.53) LTB4RPTGER1
SCHEMBL8434056 0.85 LTB4R (0.51) LTB4RPTGER1MAPTMRGPRX4
SCHEMBL8430702 0.84 LTB4R (0.51) LTB4RPTGER1CYP1A2CYP3A4CYP2C9
SCHEMBL8430563 0.82 LTB4R (0.55) LTB4RPTGER1TERTMRGPRX4KDM4E
SCHEMBL8432449 0.82 LTB4R (0.54) LTB4RPTGER1TERTMRGPRX4
SCHEMBL8434140 0.81 LTB4R (0.47) LTB4RPTGER1TERTCNR2MAPT
SCHEMBL8434474 0.80 LTB4R (0.56) LTB4RPTGER1TERT
SCHEMBL8430532 0.80 LTB4R (0.53) LTB4RTERTMRGPRX4
SCHEMBL8434257 0.79 LTB4R (0.58) LTB4RMEN1KMT2AALDH1A1

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