SCHEMBL7706396

SCHEMBL7706396

CC(C)CC(C#N)(C(=O)O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.35
CTSK P43235 4/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
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
SCHEMBL14440875 0.85 CTSL (0.31) CTSSCTSKCTSLCTSB
SCHEMBL23142398 0.80 GRM2 (0.30) GRM2GRM3
SCHEMBL3542106 0.80 CTSS (0.34) CTSSCTSKCTSLCTSB
SCHEMBL15443522 0.79 GRM2 (0.32) GRM2GRM3
SCHEMBL28286159 0.79 RNPEP (0.35) CTSSCTSKCTSLCTSB
SCHEMBL8164997 0.79
SCHEMBL7703877 0.77 MMP8 (0.46) CTSSCTSKCTSLCTSBMMP8
SCHEMBL8163841 0.76 CTSS (0.33) CTSSCTSK
SCHEMBL7703902 0.76 GRM2 (0.34) CTSSCTSKCTSLCTSBGRM2
SCHEMBL8169580 0.74 CTSS (0.35) CTSSCTSKCTSLCTSBGRM2

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-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP claimed