SCHEMBL21781895

SCHEMBL21781895

CN(C=O)Cc1ccc(NC(=O)C(CCCNC=O)NC(=O)CNC(=O)CCC=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.33
SIRT1 Q96EB6 10/20 0.33
EHMT2 Q96KQ7 1/20 0.33
QRFPR Q96P65 1/20 0.33
SIRT5 Q9NXA8 3/20 0.33
LTA4H P09960 1/20 0.33
SIRT3 Q9NTG7 3/20 0.32
FOLH1 Q04609 1/20 0.31

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
SCHEMBL21782007 0.80 C3AR1 (0.37) SIRT2SIRT1QRFPRSIRT5
SCHEMBL21781923 0.77 QRFPR (0.42) QRFPR
SCHEMBL20729911 0.75 LMNA (0.36) SIRT2SIRT1SIRT5SIRT3
SCHEMBL21782008 0.75 CHRNB2 (0.44) SIRT2SIRT1
SCHEMBL18822697 0.70 SIRT2 (0.34) SIRT2SIRT1SIRT5SIRT3
SCHEMBL21649652 0.69 SIRT1 (0.42) SIRT2SIRT1
SCHEMBL22561449 0.68 C3AR1 (0.43) SIRT2SIRT1QRFPRSIRT3
SCHEMBL24788062 0.68 SPHK1 (0.48) SIRT1
SCHEMBL22593910 0.67 TRPV1 (0.46) QRFPR
SCHEMBL22593891 0.67 TRPV1 (0.45)

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed