SCHEMBL6944384

SCHEMBL6944384

CC(C)C[C@@H](C(=O)NN(CC(=O)N1CCOCC1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.51
MMP1 P03956 5/20 0.34
MMP3 P08254 4/20 0.34
MMP2 P08253 4/20 0.34
MMP13 P45452 4/20 0.34
MMP8 P22894 2/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
MMP9 P14780 3/20 0.33
MMP14 P50281 2/20 0.33
APP P05067 3/20 0.32
REN P00797 5/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CTSK P43235 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
SCHEMBL6939910 0.91 ADAM17 (0.57) ADAM17MMP2MMP9APPMEN1
SCHEMBL6939914 0.91 ADAM17 (0.57) ADAM17MMP2MMP9APPMEN1
SCHEMBL7938339 0.90 ADAM17 (0.52) ADAM17MMP1MMP3MMP2MMP13
SCHEMBL6943674 0.88 ADAM17 (0.55) ADAM17MMP3MMP2MEN1KMT2A
SCHEMBL6947109 0.88 ADAM17 (0.57) ADAM17MMP2MMP9APPMEN1
SCHEMBL6943561 0.88 ADAM17 (0.67) ADAM17MMP2MMP9APPMEN1
SCHEMBL6946725 0.87 ADAM17 (0.56) ADAM17MMP2MMP9APPTGFBR1
SCHEMBL6945556 0.87 ADAM17 (0.58) ADAM17MMP1MMP2MMP13MMP9
SCHEMBL6943362 0.87 ADAM17 (0.56) ADAM17MMP2MMP9APPGAA
SCHEMBL6942461 0.87 ADAM17 (0.56) ADAM17MMP2MMP9APPTGFBR1

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed