SCHEMBL7715542

SCHEMBL7715542

CCCN(CCC)c1c(N[C@@H](Cc2ccc(Nc3nc(C)cc4ccccc34)cc2)C(=O)OC)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.41
ITGA4 P13612 8/20 0.41
ELANE P08246 2/20 0.38
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7716163 0.94 ITGB1 (0.48) ITGB1ITGA4ELANEEGFRKDR
SCHEMBL7716204 0.92 ITGB1 (0.49) ITGB1ITGA4MAPTGAAMEN1
SCHEMBL7710752 0.85 ITGB1 (0.54) ITGB1ITGA4MAPTGAAMEN1
SCHEMBL7710696 0.84 ITGB1 (0.46) ITGB1ITGA4ELANEMEN1KMT2A
SCHEMBL7258634 0.84 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7714179 0.83 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7716179 0.83 ELANE (0.40) ITGB1ITGA4ELANEEGFRKDR
SCHEMBL7716169 0.83 ELANE (0.40) ITGB1ITGA4ELANEEGFRKDR
SCHEMBL7259595 0.82 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL7259001 0.80 ITGB1 (0.52) ITGB1ITGA4

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed