SCHEMBL6946023

SCHEMBL6946023

CC(C)C[C@@H](C(=O)O)[C@H](CCC1CCOCC1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
KMT2A Q03164 1/20 0.31
REN P00797 1/20 0.31
PIK3CD O00329 1/20 0.31
CNR2 P34972 1/20 0.31
RECQL P46063 1/20 0.30
CCR2 P41597 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6945400 1.00 CTSK (0.33) CTSKKMT2ARENPIK3CDCNR2
SCHEMBL7928707 0.81 BCHE (0.37) CTSKKMT2ARENSMN1; SMN2
SCHEMBL7815506 0.81 BCHE (0.37) CTSKKMT2ARENSMN1; SMN2
SCHEMBL7764173 0.80 BCHE (0.39) CTSKKMT2ARENSMN1; SMN2
SCHEMBL6943422 0.80 BCHE (0.39) CTSKKMT2ARENSMN1; SMN2
SCHEMBL6943418 0.80 BCHE (0.39) CTSKKMT2ARENSMN1; SMN2
SCHEMBL7764176 0.80 BCHE (0.39) CTSKKMT2ARENSMN1; SMN2
SCHEMBL6986468 0.79 BCHE (0.38) CTSKRENSMN1; SMN2
SCHEMBL15015766 0.78 CTSL (0.39) CTSKKMT2ARECQL
SCHEMBL7762836 0.78 CTSL (0.39) CTSKKMT2ARECQL

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 4 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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed