SCHEMBL21782007

SCHEMBL21782007

NC(=O)NCCCC(NC(=O)CNC(=O)CCC=O)C(=O)Nc1ccc(CNC=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.37
ADAM10 O14672 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM8 P78325 1/20 0.34
ADAM17 P78536 1/20 0.34
SIRT5 Q9NXA8 2/20 0.33
QRFPR Q96P65 1/20 0.33
NPY1R P25929 9/20 0.33
NPY4R P50391 6/20 0.33
NPY5R Q15761 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
NPY2R P49146 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SHMT1 P34896 1/20 0.33

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
SCHEMBL22561449 0.86 C3AR1 (0.43) C3AR1ADAM10MMP2MMP9MMP12
SCHEMBL21782008 0.84 CHRNB2 (0.44) SIRT1SIRT2
SCHEMBL21781914 0.82 SPHK1 (0.42) C3AR1ADAM10MMP2MMP9MMP12
SCHEMBL21782000 0.80 ITGB1 (0.34) C3AR1
SCHEMBL21781895 0.80 SIRT2 (0.33) SIRT5QRFPRSIRT1SIRT2
SCHEMBL21649652 0.80 SIRT1 (0.42) SIRT1SIRT2
SCHEMBL21781923 0.80 QRFPR (0.42) C3AR1QRFPR
SCHEMBL22593910 0.78 TRPV1 (0.46) QRFPRNPY1RNPY4RNPY5RNPY2R
SCHEMBL22593891 0.77 TRPV1 (0.45) NPY1RNPY4RNPY5RNPY2R
SCHEMBL16274143 0.77 ROCK2 (0.44) NPY1RNPY4RNPY5RNPY2R

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