SCHEMBL9080607

SCHEMBL9080607

O=C(O)COc1cc(OCC(=O)O)cc(C(=O)CN2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
HRH3 Q9Y5N1 8/20 0.47
POLB P06746 1/20 0.46
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL7403960 0.90 ITGB3 (0.59) ITGB3ITGA2BHRH3POLBHRH1
SCHEMBL7327928 0.89 HRH3 (0.59) ITGB3ITGA2BHRH3POLBHRH1
SCHEMBL7405428 0.89 HRH3 (0.46) ITGB3ITGA2BHRH3POLBHRH1
SCHEMBL7404981 0.85 HRH3 (0.44) ITGB3ITGA2BHRH3POLBHRH1
SCHEMBL7407224 0.84 ALDH1A1 (0.53) ITGB3ITGA2BHRH3POLBHRH1
SCHEMBL7399584 0.83 GAA (0.47) ITGB3ITGA2BHRH3HRH1MEN1
SCHEMBL7442786 0.83 HRH3 (0.43) ITGB3ITGA2BHRH3POLBMEN1
SCHEMBL7402638 0.82 ALDH1A1 (0.51) ITGB3ITGA2BHRH3POLBHRH1
SCHEMBL7403828 0.81 MEN1 (0.49) ITGB3ITGA2BHRH3POLBHRH1
SCHEMBL7398926 0.81 ALDH1A1 (0.62) HRH3POLBMEN1KMT2AALDH1A1

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
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed