SCHEMBL7388792

SCHEMBL7388792

COc1cc(C(NC(C)=O)C2CCN(CCC(=O)O)C2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.46
ITGA4 P13612 9/20 0.46
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
POLB P06746 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
SCHEMBL7484795 0.95 ITGB1 (0.45) ITGB1ITGA4THRBL3MBTL1MAPT
SCHEMBL7392261 0.95 THRB (0.47) ITGB1ITGA4THRBL3MBTL1MAPT
SCHEMBL7426846 0.92 ITGB1 (0.51) ITGB1ITGA4THRBL3MBTL1MAPT
SCHEMBL7390959 0.90 ITGB1 (0.44) ITGB1ITGA4THRBMEN1KMT2A
SCHEMBL7425047 0.88 ITGB1 (0.54) ITGB1ITGA4L3MBTL1MAPTMEN1
SCHEMBL7394287 0.88 ITGA4 (0.50) ITGB1ITGA4MAPTMEN1KMT2A
SCHEMBL7382557 0.88 ITGB1 (0.49) ITGB1ITGA4THRBL3MBTL1MAPT
SCHEMBL7392019 0.86 ITGA4 (0.43) ITGB1ITGA4THRBL3MBTL1MAPT
SCHEMBL7392592 0.85 ITGB1 (0.50) ITGB1ITGA4L3MBTL1MAPTMEN1
SCHEMBL7383245 0.85 ITGB1 (0.49) ITGB1ITGA4MAPTMEN1KMT2A

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
WO-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 WO disclosed