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SCHEMBL5313790

SCHEMBL5313790

CN(c1ccc(C(=O)O)cc1)C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(I)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 16/20 0.59
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL5317982 0.85 LTA4H (0.76) LTA4HMEN1KMT2AHPGDLMNA
SCHEMBL5313861 0.75 LTA4H (1.00) LTA4HMEN1KMT2ALMNAGAA
SCHEMBL5312484 0.73 LTA4H (0.90) LTA4HMEN1KMT2ALMNAGAA
SCHEMBL5312987 0.73 LTA4H (0.68) LTA4HMEN1KMT2AHPGDLMNA
SCHEMBL5314749 0.72 LTA4H (0.76) LTA4HLMNASMN1; SMN2POLBALDH1A1
SCHEMBL3041150 0.72 LTA4H (0.68) LTA4H
SCHEMBL5310076 0.72 LTA4H (1.00) LTA4HMEN1KMT2AHPGD
SCHEMBL5660863 0.72 LTA4H (1.00) LTA4HMEN1KMT2AHPGDLMNA
SCHEMBL5314309 0.72 LTA4H (1.00) LTA4HMEN1KMT2AHPGD
SCHEMBL5310079 0.72 LTA4H (1.00) LTA4HMEN1KMT2AHPGD

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
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 — — WO disclosed