SCHEMBL6013148

SCHEMBL6013148

C=CCOC(=O)N[C@@H](CCCCNC(=O)OC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(COC)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.47
▸ SIRT1 Q96EB6 13/20 0.47
▸ SIRT5 Q9NXA8 4/20 0.47
▸ SIRT3 Q9NTG7 3/20 0.47

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
SCHEMBL5550452 0.98 SIRT2 (0.45) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5550449 0.82 KMT2A (0.46) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5550454 0.82 KMT2A (0.46) SIRT2SIRT1SIRT5SIRT3
SCHEMBL22804091 0.76 FOLH1 (0.60) SIRT2SIRT1SIRT5
SCHEMBL19017845 0.75 MAPT (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL16847608 0.75 MAPT (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL14123951 0.74 KMT2A (0.53) —
SCHEMBL16847607 0.74 MAPT (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL18100002 0.74 SIRT2 (0.44) SIRT2SIRT1SIRT5SIRT3
SCHEMBL16093051 0.74 KMT2A (0.50) —

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
EP-1718340-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2006-11-08 — — EP disclosed
WO-2005074901-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2005-08-18 — — WO disclosed
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