SCHEMBL5375131

SCHEMBL5375131

Cc1cc(CN(C)CC2CCCN2CC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.80
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MCHR2 Q969V1 1/20 0.47
MCHR1 Q99705 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL5310079 0.89 LTA4H (1.00) LTA4HMEN1KMT2AHPGDMCHR2
SCHEMBL5310076 0.89 LTA4H (1.00) LTA4HMEN1KMT2AHPGDMCHR2
SCHEMBL5314309 0.89 LTA4H (1.00) LTA4HMEN1KMT2AHPGDMCHR2
SCHEMBL5310075 0.87 LTA4H (1.00) LTA4HMEN1KMT2AHPGDALDH1A1
SCHEMBL5316021 0.87 LTA4H (1.00) LTA4HMEN1KMT2AHPGDALDH1A1
SCHEMBL5310068 0.87 LTA4H (1.00) LTA4HMEN1KMT2AHPGDALDH1A1
SCHEMBL5312417 0.86 LTA4H (0.87) LTA4HMEN1KMT2AHPGDLMNA
SCHEMBL5315339 0.84 LTA4H (0.87) LTA4HMEN1KMT2AHPGDALDH1A1
SCHEMBL5311002 0.83 LTA4H (0.87) LTA4HMEN1KMT2AHPGD
SCHEMBL5310544 0.77 LTA4H (1.00) LTA4HMCHR2MCHR1

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