SCHEMBL5700875

SCHEMBL5700875

CN(C(=O)OCc1ccccc1)c1ccc(I)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
ABCB1 P08183 1/20 0.42
APP P05067 1/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL27558112 0.89 CHRNB2 (0.56) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL12835337 0.88 ALDH1A1 (0.55) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL12173013 0.86 ALDH1A1 (0.54) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL5582815 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL5858822 0.84 ALDH1A1 (0.51) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL10685331 0.82 ALDH1A1 (0.57) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL19918329 0.82 ALDH1A1 (0.57) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL7296240 0.82 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL9268753 0.82 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL7300187 0.80 ALOX15 (0.50) ALDH1A1MAPTHPGDMAPK1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed