SCHEMBL7840552

SCHEMBL7840552

CC(C)C[C@@H](C(=O)NN1C(=O)NC(=O)[C@@H]1CO)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.37
TGFBR1 P36897 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APP P05067 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
ANPEP P15144 2/20 0.32
LTA4H P09960 1/20 0.32
LAP3 P28838 1/20 0.32
NPEPPS P55786 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
CAPN1 P07384 1/20 0.30
P2RX3 P56373 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
SCHEMBL7837998 0.85 MMP1 (0.37) ADAM17APPMMP2MMP9MMP1
SCHEMBL6946529 0.85 ADAM17 (0.40) ADAM17TGFBR1MEN1KMT2AAPP
SCHEMBL6946530 0.85 ADAM17 (0.40) ADAM17TGFBR1MEN1KMT2AAPP
SCHEMBL7960563 0.84 ADAM17 (0.39) ADAM17TGFBR1MEN1KMT2AAPP
SCHEMBL7839914 0.84 ADAM17 (0.39) ADAM17TGFBR1MEN1KMT2AAPP
SCHEMBL7835569 0.84 ADAM17 (0.39) ADAM17TGFBR1MEN1KMT2AAPP
SCHEMBL7840733 0.84 ADAM17 (0.37) ADAM17TGFBR1MEN1KMT2AAPP
SCHEMBL7840735 0.84 ADAM17 (0.37) ADAM17TGFBR1MEN1KMT2AAPP
SCHEMBL7955132 0.84 ADAM17 (0.44) ADAM17TGFBR1ALDH1A1APPMMP2
SCHEMBL7835552 0.84 ADAM17 (0.44) ADAM17TGFBR1ALDH1A1APPMMP2

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-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed