SCHEMBL9800635

SCHEMBL9800635

COc1ccc(C[C@H](NC(=O)CCNC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
ITGB3 P05106 7/20 0.55
ITGA2B P08514 6/20 0.55
ATM Q13315 1/20 0.55
FPR2 P25090 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
ITGAV P06756 1/20 0.53
PTPN1 P18031 1/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
F2 P00734 1/20 0.51

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
SCHEMBL8910628 0.92 KMT2A (0.56) KMT2AITGB3ITGA2B
SCHEMBL10883284 0.89 KMT2A (0.59) KMT2AITGB3ITGA2BATMFPR2
SCHEMBL7044299 0.86 ATM (0.67) KMT2AITGB3ITGA2BATMFPR2
SCHEMBL7044293 0.86 ATM (0.67) KMT2AITGB3ITGA2BATMFPR2
SCHEMBL9716776 0.86 ATM (0.67) KMT2AITGB3ITGA2BATMFPR2
SCHEMBL9716778 0.86 ATM (0.67) KMT2AITGB3ITGA2BATMFPR2
SCHEMBL7039089 0.86 ATM (0.67) KMT2AITGB3ITGA2BATMFPR2
SCHEMBL9417356 0.86 HDAC1 (0.56) HDAC8
SCHEMBL9800497 0.85 KMT2A (0.57) KMT2AITGB3ITGA2BATMFPR2
SCHEMBL14684392 0.82 HDAC8 (0.64) ITGB3ITGA2BATMFPR2HDAC8

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
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed