SCHEMBL7580534

SCHEMBL7580534

CN(CC(=O)OC(=O)c1cccc(COc2ccc3c(c2)c(CCN)cn3Cc2cccc(C(=O)OC(=O)c3ccc(COc4ccc5c(c4)c(CCN)cn5Cc4cccc(C(=O)OC(=O)c5cccc(Cn6cc(CCN)c7cc(OCc8ccc(C(N)=O)cc8)ccc76)c5)c4)cc3)c2)c1)C(=O)Cn1cc(CCN)c2cc(OCc3cccc(C#N)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.46
LTB4R2 Q9NPC1 9/20 0.46
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
EGFR P00533 3/20 0.38
IGF1R P08069 3/20 0.38
FLT4 P35916 3/20 0.38
KDR P35968 3/20 0.38
MAOB P27338 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL7580527 0.89 LTB4R (0.49) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7321134 0.82 LTB4R (0.60) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7319275 0.81 EGFR (0.49) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7320717 0.80 EGFR (0.50) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7318738 0.80 ALKBH1 (0.49) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7308670 0.78 EGFR (0.46) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7316830 0.78 EGFR (0.52) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7315456 0.75 EGFR (0.54) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7305494 0.75 EGFR (0.51) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7310034 0.74 EGFR (0.54) LTB4RLTB4R2PPARGPPARDPPARA

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-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed