SCHEMBL5350533

SCHEMBL5350533

CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](C(C)C)C(O)c1c(-c2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.52
CTSK P43235 8/20 0.52
CTSL P07711 7/20 0.52
CTSB P07858 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
LARS1 Q9P2J5 2/20 0.41
REN P00797 1/20 0.41
ADAMTS4 O75173 2/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL5350528 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL14932686 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL5277957 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL7344740 0.80 CTSS (0.47) CTSSCTSKCTSLCTSBMMP1
SCHEMBL7337277 0.78 CTSK (0.59) CTSSCTSKCTSLCTSB
SCHEMBL31086879 0.75 CTSL (0.62) CTSSCTSKCTSLCTSBMMP1
SCHEMBL9054077 0.74 CTSS (0.60) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL7370421 0.74 CTSK (0.45) CTSSCTSKCTSLREN
SCHEMBL9227916 0.74 CTSK (0.45) CTSSCTSKCTSLREN
SCHEMBL7343508 0.74 CTSK (0.45) CTSSCTSKCTSLREN

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
JP-2007246518-A CRYSTAL OF CYCLOPROPENONE COMPOUND MITSUBISHI PHARMA CORP 2007-09-27 JP disclosed