SCHEMBL7428883

SCHEMBL7428883

COc1cc(C(CC2CCN(C(C)CC(=O)O)CC2)NC(C)=O)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.50
ITGA4 P13612 14/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LPAR1 Q92633 1/20 0.39
GAA P10253 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
SCHEMBL7483888 0.95 ITGA4 (0.49) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7425026 0.92 ITGB1 (0.47) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7425399 0.91 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7430152 0.90 ITGA4 (0.48) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7535883 0.89 ITGA4 (0.46) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7431427 0.89 ITGB1 (0.53) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7424846 0.88 ITGB1 (0.45) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7425440 0.87 ITGB1 (0.44) ITGB1ITGA4MEN1KMT2A
SCHEMBL7429588 0.87 ITGB1 (0.51) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7392319 0.87 ITGA4 (0.47) ITGB1ITGA4MEN1KMT2AMAPT

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