SCHEMBL5700904

SCHEMBL5700904

COC(=O)CC(NC(C)=O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.70
ITGA4 P13612 15/20 0.70
ITGB7 P26010 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.45
P2RX7 Q99572 1/20 0.44

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
SCHEMBL5700900 1.00 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700979 0.93 ITGB1 (0.78) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701016 0.93 ITGB1 (0.78) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700907 0.93 ITGB1 (0.59) ITGB1ITGA4ITGB7ALDH1A1MAPT
SCHEMBL5700946 0.93 ITGB1 (0.65) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700985 0.92 ITGB1 (0.77) ITGB1ITGA4ITGB7MEN1KMT2A
Water SCHEMBL5701073 0.92 ITGB1 (0.77) ITGB1ITGA4ITGB7MEN1KMT2A
Water SCHEMBL5701072 0.92 ITGB1 (0.77) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700990 0.92 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700827 0.91 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed