SCHEMBL7286228

SCHEMBL7286228

N#Cc1ccc(C(=O)CCC(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
HRH3 Q9Y5N1 8/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTT P42858 1/20 0.40
RORC P51449 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
SCHEMBL8650351 0.83 KMT2A (0.52) KMT2AMEN1SMN1; SMN2HRH3SIGMAR1
SCHEMBL7291775 0.83 ITGB3 (0.61) KMT2ASMN1; SMN2ITGB3ITGA2BHRH3
SCHEMBL7291497 0.83 KMT2A (0.51) KMT2AMEN1SMN1; SMN2ITGB3ITGA2B
SCHEMBL8880311 0.82 ITGB3 (0.48) SMN1; SMN2ITGB3ITGA2B
SCHEMBL8650355 0.82 KMT2A (0.51) KMT2AMEN1SMN1; SMN2HRH3SIGMAR1
SCHEMBL8379701 0.81 ITGB3 (0.52) ITGB3ITGA2BHRH3SIGMAR1RORC
SCHEMBL7284564 0.81 ITGB3 (0.52) ITGB3ITGA2BHRH3SIGMAR1RORC
SCHEMBL8382436 0.81 ITGB3 (0.47) ITGB3ITGA2BHRH3RORC
SCHEMBL8379264 0.79 KMT2A (0.45) KMT2AMEN1SMN1; SMN2ITGB3ITGA2B
SCHEMBL8379876 0.79 PAX8 (0.48)

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 3 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 disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
EP-0656348-A2 Aceric acid derivatives as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP disclosed