SCHEMBL7715520

SCHEMBL7715520

CCOC(=O)C(Cc1ccc(Nc2nc(CC)cc3cc(OC)ccc23)cc1)Nc1c(N2C(C)CC[C@@H]2C)c(=O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
ITGB1 P05556 3/20 0.34
ITGA4 P13612 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PTGDR Q13258 1/20 0.32
ELANE P08246 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MAPT P10636 3/20 0.32
P2RX3 P56373 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
SLC2A1 P11166 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL7715527 1.00 TP53 (0.34) TP53ITGB1ITGA4ALDH1A1KDM4E
SCHEMBL7716449 0.93 ITGB1 (0.41) ITGB1ITGA4PTGDR
SCHEMBL7716444 0.93 ITGB1 (0.41) ITGB1ITGA4PTGDR
SCHEMBL7716446 0.93 ITGB1 (0.41) ITGB1ITGA4PTGDR
SCHEMBL7714172 0.84 ITGB1 (0.49) TP53ITGB1ITGA4ALDH1A1PTGDR
SCHEMBL7716171 0.84 TP53 (0.36) TP53ITGB1ITGA4ALDH1A1KDM4E
SCHEMBL7716181 0.84 TP53 (0.36) TP53ITGB1ITGA4ALDH1A1KDM4E
SCHEMBL7710679 0.83 ITGB1 (0.42) TP53ITGB1ITGA4ALDH1A1PTGDR
SCHEMBL7716153 0.82 ELANE (0.40) TP53ITGB1ITGA4ALDH1A1KDM4E
SCHEMBL7716158 0.82 ELANE (0.40) TP53ITGB1ITGA4ALDH1A1KDM4E

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