SCHEMBL6942001

SCHEMBL6942001

CC(C)C[C@@H](C(=O)O)[C@H](CC=O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PRKCA P17252 3/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 1/20 0.30
MMP1 P03956 1/20 0.30
XBP1 P17861 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
SCHEMBL7518209 0.87 CTSL (0.39) CTSKCTSLCTSBCTSSTDP1
SCHEMBL7762836 0.87 CTSL (0.39) CTSKCTSLCTSBCTSSTDP1
SCHEMBL7518207 0.87 CTSL (0.39) CTSKCTSLCTSBCTSSTDP1
SCHEMBL15015766 0.87 CTSL (0.39) CTSKCTSLCTSBCTSSTDP1
SCHEMBL6801843 0.86 MMP2 (0.40) CTSKCTSLCTSBCTSSTDP1
SCHEMBL7070415 0.86 MMP2 (0.40) CTSKCTSLCTSBCTSSTDP1
SCHEMBL6944781 0.86 MMP2 (0.40) CTSKCTSLCTSBCTSSTDP1
SCHEMBL6988899 0.86 MMP2 (0.40) CTSKCTSLCTSBCTSSTDP1
SCHEMBL4146664 0.86 MMP2 (0.40) CTSKCTSLCTSBCTSSTDP1
SCHEMBL7777764 0.80 MMP2 (0.40) CTSKCTSLCTSBCTSSTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed