SCHEMBL7710690

SCHEMBL7710690

COc1ccc2cc(C)nc(Nc3ccc(C[C@H](Nc4c(OC(C)C)c(=O)c4=O)C(=O)O)cc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ITGB1 P05556 11/20 0.39
ITGA4 P13612 11/20 0.39
PTGDR Q13258 1/20 0.39
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
SLC2A1 P11166 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 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
SCHEMBL7716196 0.89 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7716201 0.89 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7264625 0.86 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7264618 0.86 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7710715 0.85 ITGB1 (0.57) ATMITGB1ITGA4PTGDRSLC2A1
SCHEMBL7716175 0.85 P2RX3 (0.36) ITGB1ITGA4TP53MAPT
SCHEMBL7716463 0.83 ITGB1 (0.39) ATMITGB1ITGA4PTGDR
SCHEMBL7710707 0.83 ITGB1 (0.39) ATMITGB1ITGA4PTGDR
SCHEMBL7716466 0.83 ITGB1 (0.39) ATMITGB1ITGA4PTGDR
SCHEMBL7716169 0.83 ELANE (0.40) ATMITGB1ITGA4POLBTP53

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