SCHEMBL6560946

SCHEMBL6560946

COC(=O)[C@H](Cc1ccc(NC(=O)c2cccnc2Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ITGB1 P05556 5/20 0.47
ITGA4 P13612 4/20 0.47
HTT P42858 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
ITGB5 P18084 1/20 0.46
KLK5 Q9Y337 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
ITGB7 P26010 1/20 0.43
SCN9A Q15858 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL6510240 0.89 ITGB1 (0.48) MAPTMEN1KMT2ANPSR1ITGB1
SCHEMBL6563210 0.87 MAPT (0.46) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL6561292 0.81 ITGB1 (0.56) ITGB1ITGA4ITGB3ITGAVITGA2B
SCHEMBL14799578 0.81 ITGB1 (0.56) ITGB1ITGA4ITGB3ITGAVITGA2B
SCHEMBL20715930 0.80 ITGB3 (0.61) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL6642502 0.79 GAA (0.48) MAPTMEN1KMT2ANPSR1ITGB1
Hydrochloric Acid SCHEMBL6563409 0.79 HTT (0.55) MAPTKDM4EMEN1KMT2AITGB1
Hydrochloric Acid SCHEMBL6563404 0.79 HTT (0.55) MAPTKDM4EMEN1KMT2AITGB1
SCHEMBL7485965 0.79 TSHR (0.55) KMT2ANPSR1ITGB1ITGA4ITGB7
SCHEMBL6516319 0.79 ITGA4 (0.59) MAPTMEN1KMT2AITGB1ITGA4

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-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed
EP-1144365-A3 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
EP-1144365-A2 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-10-17 EP disclosed
WO-2000037429-A2 INHIBITORS OF α4β1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-06-29 WO disclosed