SCHEMBL1074473

SCHEMBL1074473

COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 12/20 0.47
SIRT2 Q8IXJ6 13/20 0.45
SIRT3 Q9NTG7 4/20 0.45
SIRT5 Q9NXA8 4/20 0.45
PTGER4 P35408 1/20 0.44

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
SCHEMBL1587596 0.95 SIRT1 (0.51) SIRT1SIRT2SIRT3SIRT5
SCHEMBL9488093 0.95 SIRT1 (0.51) SIRT1SIRT2SIRT3SIRT5
SCHEMBL4301229 0.88 PTGER4 (0.44) SIRT1SIRT5PTGER4
SCHEMBL9489620 0.88 SIRT2 (0.44) SIRT1SIRT2SIRT3SIRT5
SCHEMBL9489607 0.88 SIRT2 (0.44) SIRT1SIRT2SIRT3SIRT5
SCHEMBL9614367 0.86 NPY4R (0.42)
SCHEMBL6696292 0.83 PTGER4 (0.46) SIRT1SIRT2SIRT3SIRT5PTGER4
SCHEMBL28595330 0.82 KDM4E (0.38) SIRT1SIRT2
SCHEMBL28595326 0.82 KDM4E (0.38) SIRT1SIRT2
SCHEMBL29985699 0.82 SIRT1 (0.54) SIRT1SIRT2SIRT3

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-2276776-B1 METHOD AND AFFINITY COLUMN FOR PURIFYING PROTEINS SAMSUNG ELECTRONICS CO LTD (KR) 2015-07-29 EP disclosed
EP-2276776-A2 METHOD AND AFFINITY COLUMN FOR PURIFYING PROTEINS Samsung Electronics Co., Ltd. (KR) 2011-01-26 EP disclosed
WO-2009139601-A2 METHOD AND AFFINITY COLUMN FOR PURIFYING PROTEINS SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-11-19 WO disclosed