SCHEMBL6943375

SCHEMBL6943375

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.53
APP P05067 3/20 0.33
TGFBR1 P36897 1/20 0.33
P2RX3 P56373 1/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 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 1/20 0.31
MMP7 P09237 1/20 0.31
MMP10 P09238 1/20 0.31
MMP13 P45452 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
MMP14 P50281 1/20 0.31
APH1B Q8WW43 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) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6947352 0.91 ADAM17 (0.51) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6939914 0.91 ADAM17 (0.57) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6947109 0.91 ADAM17 (0.57) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6937788 0.91 ADAM17 (0.51) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6943561 0.91 ADAM17 (0.67) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6946725 0.89 ADAM17 (0.56) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6945556 0.89 ADAM17 (0.58) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6943362 0.89 ADAM17 (0.56) ADAM17APPTGFBR1P2RX3MMP2
SCHEMBL6942461 0.89 ADAM17 (0.56) ADAM17APPTGFBR1P2RX3MMP2

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