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SCHEMBL7473206

SCHEMBL7473206

COc1cc(CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C(=O)O)c2ccc(OC)c(OC)c2)ccc1NC(=O)Nc1ccc(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CTSK P43235 1/20 0.42
▸ ITGB1 P05556 2/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ CTSD P07339 5/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ CHEK1 O14757 4/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL7468535 1.00 ATM (0.45) ATMMEN1KMT2ACTSKITGB1
SCHEMBL7467449 0.92 ATM (0.43) ATMMEN1KMT2ACTSKITGB1
SCHEMBL7466878 0.92 ATM (0.43) ATMMEN1KMT2ACTSKITGB1
SCHEMBL7472840 0.90 MEN1 (0.41) ATMMEN1KMT2AITGB1ITGA4
SCHEMBL7471442 0.86 ITGB1 (0.50) ATMCTSKITGB1ITGA4CTSD
SCHEMBL7460940 0.86 ITGB1 (0.50) ATMCTSKITGB1ITGA4CTSD
SCHEMBL7465560 0.81 ITGB1 (0.42) ATMMEN1KMT2ACTSKITGB1
SCHEMBL7467208 0.81 ITGB1 (0.42) ATMMEN1KMT2ACTSKITGB1
SCHEMBL7461541 0.81 KMT2A (0.42) MEN1KMT2AITGB1ITGA4CTSD
SCHEMBL7467182 0.80 DGAT1 (0.45) MEN1KMT2AITGB1ITGA4

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
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 — — EP claimed