SCHEMBL7423351

SCHEMBL7423351

COc1cc(N(C(C)=O)C2CCN(C(C)CC(=O)O)C2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.47
ITGA4 P13612 8/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
LPAR1 Q92633 2/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7430390 0.95 ITGB1 (0.48) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7430482 0.91 ITGA4 (0.45) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7389686 0.89 ITGB1 (0.45) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7391866 0.88 ITGA4 (0.45) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7426361 0.88 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7427303 0.87 ITGB1 (0.47) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7390416 0.86 ITGA4 (0.52) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7430557 0.85 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7420801 0.84 ITGB1 (0.47) ITGB1ITGA4MEN1KMT2AGAA
SCHEMBL7391216 0.84 ITGB1 (0.45) ITGB1ITGA4MEN1KMT2AGAA

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