SCHEMBL7292407

SCHEMBL7292407

CCOC(=O)NC(=N)c1ccc(C(=O)CCC(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
HRH3 Q9Y5N1 5/20 0.39
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8377736 0.91 ITGB3 (0.48) ITGB3ITGA2BKMT2AMEN1SMN1; SMN2
SCHEMBL8382665 0.88 ITGB3 (0.47) ITGB3ITGA2BKMT2AMEN1SMN1; SMN2
SCHEMBL8378306 0.85 ITGB3 (0.53) ITGB3ITGA2BKMT2A
SCHEMBL8378304 0.85 ITGB3 (0.53) ITGB3ITGA2BKMT2A
SCHEMBL7292420 0.81 MIF (0.47) ITGB3ITGA2BKMT2AMEN1SMN1; SMN2
SCHEMBL7291775 0.80 ITGB3 (0.61) ITGB3ITGA2BKMT2ASMN1; SMN2HRH3
SCHEMBL8377861 0.80 ITGB3 (0.44) ITGB3ITGA2BPOLB
SCHEMBL8379152 0.77 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7293878 0.77 ITGB3 (0.52) ITGB3ITGA2BHTT
SCHEMBL8382793 0.77 ITGB3 (0.52) ITGB3ITGA2BHTT

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-0656348-B1 Aceric acid derivatives as medicaments HOFFMANN LA ROCHE (CH) 2000-05-03 EP claimed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed