SCHEMBL10522656

SCHEMBL10522656

CCCC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)NC(=O)OC(C)(OC)OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.47
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
REN P00797 7/20 0.36
CTSS P25774 2/20 0.34
MMP1 P03956 3/20 0.33
MMP2 P08253 3/20 0.33
MMP3 P08254 3/20 0.33
GCK P35557 1/20 0.32
CTSK P43235 1/20 0.32
USP30 Q70CQ3 3/20 0.32
PLAU P00749 1/20 0.32
HPN P05981 1/20 0.32
PSMB8 P28062 1/20 0.32

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
SCHEMBL10522653 0.90 KLK7 (0.41) KLK7TLR2TLR1MMP1MMP2
SCHEMBL10521155 0.89 KLK7 (0.46) KLK7TLR2TLR1REN
SCHEMBL10519369 0.82 KLK7 (0.43) KLK7TLR2TLR1REN
SCHEMBL10521150 0.82 KLK7 (0.40) KLK7TLR2TLR1RENGCK
SCHEMBL10519922 0.80 REN (0.39) RENCTSSCTSK
SCHEMBL7441367 0.79 KLK7 (0.53) KLK7TLR2TLR1
SCHEMBL10519365 0.76 KLK7 (0.38) KLK7TLR2TLR1GCK
SCHEMBL7274295 0.73 KLK7 (0.42) KLK7TLR2TLR1RENGCK
SCHEMBL7287334 0.73 KLK7 (0.41) KLK7REN
SCHEMBL29401167 0.72 KLK7 (0.61) KLK7TLR2TLR1

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
US-4820691-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-04-11 US disclosed