SCHEMBL6652029

SCHEMBL6652029

CC(C)CO[C@@H]1[C@@H](OCC(C)C)[C@@H](N2C(=O)C=CC2=O)C[C@@H]1OCC(C)C.CCCCO[C@@H]1[C@@H](OCCCC)[C@@H](N2C(=O)C=CC2=O)C[C@@H]1OCCCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
CTSF Q9UBX1 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
SCHEMBL1027625 0.90 USP2 (0.34)
SCHEMBL1028824 0.90 CTSV (0.36) CTSVCTSLCTSBCTSSCTSK
SCHEMBL1026062 0.90 CTSV (0.36) CTSVCTSLCTSBCTSSCTSK
SCHEMBL1027234 0.90 USP2 (0.34)
SCHEMBL1028734 0.82 MGLL (0.30)
SCHEMBL1026784 0.82 MGLL (0.30)
SCHEMBL1026272 0.75 ALDH1A1 (0.35)
SCHEMBL1026948 0.75 ALDH1A1 (0.35)
SCHEMBL1027067 0.74 CTSV (0.39) CTSVCTSLCTSBCTSSCTSK
SCHEMBL1025836 0.74 USP2 (0.34)

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-1479669-A1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography Tosoh Corporation (JP) 2004-11-24 EP disclosed