SCHEMBL2580045

SCHEMBL2580045

CN(CCNC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
MAPT P10636 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
KMT2A Q03164 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL1330134 0.97 KLK7 (0.47) KLK7KLK5TLR2TLR1MAPT
SCHEMBL2365525 0.97 KLK7 (0.47) KLK7KLK5TLR2TLR1MAPT
SCHEMBL10242708 0.89 KLK7 (0.54) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL29387849 0.88 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL2566766 0.88 SIRT2 (0.48) KLK7KLK5TLR2TLR1MAPT
SCHEMBL16124518 0.88 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL23447622 0.88 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL9933450 0.88 KLK7 (0.53) KLK7KLK5TLR2TLR1MAPT
SCHEMBL18568079 0.88 KLK7 (0.53) KLK7KLK5TLR2TLR1MAPT
SCHEMBL24234614 0.86 KLK7 (0.51) KLK7KLK5TLR2TLR1MAPT

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-2560490-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2013-02-27 EP disclosed
EP-2560489-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2013-02-27 EP disclosed
WO-2011133151-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133150-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133149-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed