SCHEMBL4654682

SCHEMBL4654682

CC(=O)Oc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ EPHX2 P34913 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ CASP3 P42574 2/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BMP1 P13497 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
SCHEMBL28691594 0.87 EPHX2 (0.48) KMT2AEPHX2RAB9AALDH1A1HTT
SCHEMBL16256817 0.85 KMT2A (0.52) KMT2AEPHX2CASP3
SCHEMBL3177417 0.85 KMT2A (0.62) KMT2AEPHX2CASP3
SCHEMBL31652901 0.84 KMT2A (0.56) KMT2AEPHX2CASP3EPHX1
SCHEMBL2744319 0.84 KMT2A (0.55) KMT2AEPHX2CASP3EPHX1
SCHEMBL24864773 0.83 KMT2A (0.52) KMT2AEPHX2CASP3EPHX1
SCHEMBL27644637 0.83 EPHX2 (0.59) KMT2AEPHX2NPC1RAB9ACASP3
SCHEMBL693419 0.83 KMT2A (0.52) KMT2AEPHX2CASP3EPHX1
SCHEMBL31010055 0.83 KMT2A (0.55) KMT2AEPHX2CASP3
SCHEMBL2057615 0.83 KMT2A (0.55) KMT2AEPHX2CASP3

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-1706154-A4 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO SPA (IT) 2008-11-26 — — EP disclosed
EP-1706154-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging, S.P.A. (IT) 2006-10-04 — — EP disclosed
WO-2005067983-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2005-07-28 — — WO disclosed
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