SCHEMBL7583142

SCHEMBL7583142

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)c3ccc(OC)c(OC)c3)nc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.60
ITGB1 P05556 10/20 0.60
CTSA P10619 2/20 0.43
P2RX7 Q99572 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL7426120 0.94 ITGB1 (0.55) ITGA4ITGB1CTSA
SCHEMBL7382674 0.94 ITGB1 (0.64) ITGA4ITGB1CTSAMEN1KMT2A
SCHEMBL7384591 0.94 ITGA4 (0.61) ITGA4ITGB1CTSAMEN1KMT2A
SCHEMBL7422603 0.91 ITGA4 (0.51) ITGA4ITGB1CTSAP2RX7
SCHEMBL7427785 0.90 ITGA4 (0.59) ITGA4ITGB1P2RX7MAPTMEN1
SCHEMBL7423658 0.90 ITGB1 (0.65) ITGA4ITGB1MEN1KMT2A
SCHEMBL5700846 0.89 ITGB1 (0.71) ITGA4ITGB1CTSAP2RX7MEN1
SCHEMBL5700856 0.89 ITGB1 (0.71) ITGA4ITGB1CTSAP2RX7MEN1
SCHEMBL7426550 0.88 ITGA4 (0.64) ITGA4ITGB1MEN1KMT2A
SCHEMBL7651159 0.88 ITGB1 (0.64) ITGA4ITGB1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed