SCHEMBL5700764

SCHEMBL5700764

COC(=O)CC(NC(=O)CN1CCN(C)CC1)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.61
ITGA4 P13612 15/20 0.61
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ITGB7 P26010 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5700762 1.00 ITGB1 (0.61) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL7645653 0.94 ITGB1 (0.68) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700923 0.94 ITGB1 (0.68) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700900 0.86 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700904 0.86 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5701004 0.86 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL5700831 0.85 ITGB1 (0.71) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL7390585 0.85 ITGB1 (0.66) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700823 0.85 ITGB1 (0.71) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5701029 0.85 ITGB1 (0.66) ITGB1ITGA4MEN1KMT2AITGB7

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