SCHEMBL7301298

SCHEMBL7301298

COCOCCN(C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
FPR2 P25090 1/20 0.48
CA2 P00918 1/20 0.47
ITGA4 P13612 3/20 0.46
ITGB7 P26010 3/20 0.46
LDHA P00338 1/20 0.46
REN P00797 1/20 0.43
ITGB1 P05556 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
ALB P02768 1/20 0.42
IL2 P60568 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL7296180 0.91 REN (0.43) KMT2AFPR2ITGA4ITGB7LDHA
SCHEMBL10534728 0.85 FPR2 (0.53) KMT2AFPR2CA2ITGA4ITGB7
SCHEMBL7333858 0.83 L3MBTL1 (0.45) KMT2AFPR2ITGA4ITGB7ALDH1A1
SCHEMBL7301518 0.82 KMT2A (0.65) KMT2AFPR2CA2ITGA4ITGB7
SCHEMBL9834187 0.81 FPR2 (0.59) KMT2AFPR2CA2ITGA4ITGB7
SCHEMBL7431334 0.77 KMT2A (0.50) KMT2AFPR2CA2ITGA4ITGB7
SCHEMBL7305859 0.76 KMT2A (0.52) KMT2AFPR2ITGA4ITGB7ALDH1A1
SCHEMBL9833395 0.75 GAA (0.46) KMT2AFPR2ITGA4ITGB7LDHA
SCHEMBL7292751 0.74 KMT2A (0.55) KMT2AFPR2ALDH1A1
SCHEMBL6438360 0.74 ITGB3 (0.64) KMT2AFPR2CA2LDHAALDH1A1

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
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed