SCHEMBL9716776

SCHEMBL9716776

COc1ccc(COC(=O)NC(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
ITGB3 P05106 8/20 0.67
ITGA2B P08514 8/20 0.67
FPR2 P25090 1/20 0.64
KMT2A Q03164 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
CTSL P07711 2/20 0.62
CTSS P25774 2/20 0.62
CTSK P43235 2/20 0.62
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 1/20 0.61
F2 P00734 1/20 0.60
ITGA4 P13612 1/20 0.59
ITGB7 P26010 1/20 0.59
CTSB P07858 1/20 0.59

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
SCHEMBL7039089 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL7044299 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL7044293 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL9716778 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL7317573 0.95 HDAC8 (0.64) ATMITGB3ITGA2BFPR2HDAC8
SCHEMBL14684392 0.95 HDAC8 (0.64) ATMITGB3ITGA2BFPR2HDAC8
SCHEMBL8569421 0.92 ALDH1A1 (0.65) ATMITGB3ITGA2BKMT2AHDAC8
SCHEMBL10706226 0.92 ATM (0.60) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL2406036 0.92 ALDH1A1 (0.65) ATMITGB3ITGA2BKMT2AHDAC8
SCHEMBL11059108 0.91 CTSL (0.60) ATMITGB3ITGA2BFPR2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
EP-0156279-B1 A NOVEL PROCESS FOR THE PREPARATION OF BESTATIN DERIVATIVES AND INTERMEDIATES THEREOF MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1989-09-13 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed
EP-0156279-A2 A novel process for the preparation of bestatin derivatives and intermediates thereof MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1985-10-02 EP disclosed