SCHEMBL7716181

SCHEMBL7716181

CCOC(=O)C(Cc1ccc(Nc2nc(CC)cc3cc(OC)ccc23)cc1)Nc1c(OC(C)C)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
MAPT P10636 5/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
ELANE P08246 1/20 0.34
PTGDR Q13258 1/20 0.34
P2RX3 P56373 6/20 0.33
ALDH1A1 P00352 1/20 0.33
DHODH Q02127 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7716171 1.00 TP53 (0.36) TP53MAPTITGB1ITGA4ELANE
SCHEMBL7714172 0.86 ITGB1 (0.49) TP53MAPTITGB1ITGA4ELANE
SCHEMBL7710679 0.85 ITGB1 (0.42) TP53MAPTITGB1ITGA4ELANE
SCHEMBL7715520 0.84 TP53 (0.34) TP53MAPTITGB1ITGA4ELANE
SCHEMBL7715527 0.84 TP53 (0.34) TP53MAPTITGB1ITGA4ELANE
SCHEMBL7714210 0.81 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7714207 0.81 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7716185 0.80 TP53 (0.33) TP53MAPTP2RX3MEN1KMT2A
SCHEMBL7716176 0.80 AKR1C3 (0.36) TP53MAPTALDH1A1SLC2A1SMN1; SMN2
SCHEMBL7714205 0.79 ITGB1 (0.58) ITGB1ITGA4PTGDR

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