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SCHEMBL7428230

SCHEMBL7428230

CCC(=O)NC(c1ccc(NC(=O)Nc2ccccc2C)c(OC)c1)C1CCN(C(C)CC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 15/20 0.53
▸ ITGA4 P13612 15/20 0.53
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LPAR1 Q92633 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL7429588 0.93 ITGB1 (0.51) ITGB1ITGA4ALDH1A1MAPTMEN1
SCHEMBL7425213 0.90 ITGB1 (0.49) ITGB1ITGA4ALDH1A1MAPTMEN1
SCHEMBL7390925 0.89 ITGB1 (0.53) ITGB1ITGA4ALDH1A1MAPTMEN1
SCHEMBL7392592 0.89 ITGB1 (0.50) ITGB1ITGA4ALDH1A1MAPTMEN1
SCHEMBL7382557 0.88 ITGB1 (0.49) ITGB1ITGA4ALDH1A1MAPT
SCHEMBL7435014 0.86 ITGB1 (0.47) ITGB1ITGA4ALDH1A1KMT2A
SCHEMBL7432396 0.85 ITGB1 (0.48) ITGB1ITGA4ALDH1A1MAPTMEN1
SCHEMBL7393051 0.84 ITGB1 (0.47) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7383245 0.83 ITGB1 (0.49) ITGB1ITGA4ALDH1A1MAPTMEN1
SCHEMBL7428863 0.83 ITGA4 (0.61) ITGB1ITGA4LPAR1

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