SCHEMBL6944685

SCHEMBL6944685

CC(C)CC(C(=O)[C@](CC(C)C)(C(=O)NN)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
ANPEP P15144 2/20 0.33
LTA4H P09960 1/20 0.33
LAP3 P28838 1/20 0.33
NPEPPS P55786 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
TGFBR1 P36897 1/20 0.32
P2RX3 P56373 1/20 0.31
CTSC P53634 1/20 0.30
MASP2 O00187 1/20 0.30

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
SCHEMBL7819016 0.90 TGFBR1 (0.32) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL7933475 0.88 CTSK (0.32) TGFBR1P2RX3
SCHEMBL7955132 0.82 ADAM17 (0.44) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL7835552 0.82 ADAM17 (0.44) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL7928806 0.82 P2RX3 (0.34) ADAM17TGFBR1P2RX3CTSCMASP2
SCHEMBL6944688 0.80 P2RX3 (0.31) TGFBR1P2RX3CTSC
SCHEMBL8112771 0.79 SLC6A3 (0.31) ADAM17TGFBR1P2RX3
SCHEMBL7930219 0.79 TGFBR1 (0.31) TGFBR1P2RX3CTSCMASP2
SCHEMBL7933480 0.77 KDM4E (0.33) TGFBR1
SCHEMBL6941960 0.76 ADAM17 (0.33) ADAM17TGFBR1P2RX3CTSCMASP2

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed