SCHEMBL9054647

SCHEMBL9054647

CCOC(=O)O[C@@H]1CCCCN1C(=O)[C@H](CC[C@H](N)c1ncc[nH]1)NS(=O)(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.34
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.32
PLAU P00749 1/20 0.32
CCR10 P46092 1/20 0.31
HTT P42858 1/20 0.31
F2 P00734 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADAMTS7 Q9UKP4 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 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
SCHEMBL9056668 0.98 MMP13 (0.34) MMP13POLBHSD17B10F2ALDH1A1
SCHEMBL9055420 0.92 MMP13 (0.36) MMP13PLAUCCR10HTTF2
SCHEMBL9055583 0.89 MMP13 (0.36) MMP13CCR10HTTF2ALDH1A1
SCHEMBL9055077 0.87 F2 (0.37) PLAUF2
SCHEMBL9055832 0.86 CCR10 (0.44) CCR10ALDH1A1
SCHEMBL9054644 0.82 PLAU (0.43) PLAUF2
SCHEMBL9057513 0.80 ITGB3 (0.38) F2
SCHEMBL9056591 0.78 F2 (0.39) F2
SCHEMBL9057135 0.77 CCR10 (0.48) CCR10
SCHEMBL9056447 0.76 PLAU (0.42) POLBPLAUF2ALDH1A1

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
WO-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed