SCHEMBL7707030

SCHEMBL7707030

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
TSHR P16473 1/20 0.30

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
SCHEMBL7703895 0.85 AKR1B1 (0.34) CTSSCTSKTSHR
SCHEMBL7703902 0.83 GRM2 (0.34) CTSSCTSKCTSL
SCHEMBL8164857 0.82 GRM2 (0.32) CTSSCTSKCTSLTSHR
SCHEMBL7703875 0.81 MMP8 (0.42) TSHR
SCHEMBL1961638 0.80 CES2 (0.40) TSHR
SCHEMBL27989962 0.79 ALDH1A1 (0.31) CTSSCTSK
SCHEMBL2637609 0.77 CYP2D6 (0.35) CTSSCTSKCTSLTSHR
SCHEMBL8336738 0.75 CES2 (0.39) TSHR
SCHEMBL4734754 0.73 MCL1 (0.34) CTSSCTSKTSHR
Water SCHEMBL31084442 0.73 MCL1 (0.34) CTSSCTSKTSHR

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