SCHEMBL7460940

SCHEMBL7460940

COc1cc(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(C(=O)O)c2ccc(OC)c(OC)c2)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.50
ITGA4 P13612 6/20 0.50
ATM Q13315 1/20 0.47
CTSK P43235 1/20 0.46
CTSD P07339 6/20 0.44
ANPEP P15144 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7471442 1.00 ITGB1 (0.50) ITGB1ITGA4ATMCTSKCTSD
SCHEMBL7466308 0.89 ITGB1 (0.46) ITGB1ITGA4ATMCTSDBCHE
SCHEMBL7466040 0.89 ITGB1 (0.46) ITGB1ITGA4ATMCTSDBCHE
SCHEMBL7467442 0.89 KMT2A (0.49) ITGB1ITGA4CTSKCTSDALDH1A1
SCHEMBL7463616 0.88 ITGB1 (0.45) ITGB1ITGA4ATMKDM4EMAPT
SCHEMBL7463861 0.88 ITGB1 (0.45) ITGB1ITGA4ATMKDM4EMAPT
SCHEMBL7467373 0.87 ATM (0.46) ITGB1ITGA4ATMCTSKCTSD
SCHEMBL7468535 0.86 ATM (0.45) ITGB1ITGA4ATMCTSKCTSD
SCHEMBL7473206 0.86 ATM (0.45) ITGB1ITGA4ATMCTSKCTSD
SCHEMBL7465560 0.85 ITGB1 (0.42) ITGB1ITGA4ATMCTSKANPEP

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