SCHEMBL6986737

SCHEMBL6986737

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.43
APP P05067 3/20 0.33
TGFBR1 P36897 1/20 0.33
P2RX3 P56373 1/20 0.32
MMP2 P08253 8/20 0.32
MMP9 P14780 4/20 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
MMP7 P09237 5/20 0.31
MMP1 P03956 5/20 0.31
MMP13 P45452 2/20 0.31
MMP14 P50281 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
MMP10 P09238 1/20 0.31
PSEN1 P49768 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
SCHEMBL6987554 0.93 ADAM17 (0.42) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6984594 0.93 ADAM17 (0.43) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6982297 0.92 ADAM17 (0.42) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6988246 0.91 ADAM17 (0.43) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6988681 0.91 ADAM17 (0.43) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6979989 0.91 ADAM17 (0.41) ADAM17APPTGFBR1MMP2MMP9
SCHEMBL6987093 0.91 ADAM17 (0.44) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6987284 0.91 ADAM17 (0.42) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6986902 0.90 ADAM17 (0.42) ADAM17TGFBR1P2RX3CTSC
SCHEMBL6984901 0.90 ADAM17 (0.43) ADAM17APPTGFBR1P2RX3CTSC

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed