SCHEMBL7288803

SCHEMBL7288803

CC(C)(C)OC(=O)N1CCCC(COCC(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN9A Q15858 1/20 0.46
ACKR3 P25106 1/20 0.46
GLS O94925 2/20 0.45
FEN1 P39748 2/20 0.44
BACE1 P56817 2/20 0.44
HPGD P15428 1/20 0.44
CTSD P07339 1/20 0.44
ALOX5AP P20292 1/20 0.42
KDM1A O60341 1/20 0.42
CHEK2 O96017 1/20 0.42
NR1H2 P55055 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
USP30 Q70CQ3 1/20 0.40
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40

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
SCHEMBL8240479 0.88 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL13162270 0.86 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL4428890 0.86 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL13634196 0.86 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL4415867 0.86 NR1H2 (0.51) MEN1ALDH1A1MAPTKMT2AFEN1
SCHEMBL772145 0.85 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL22290470 0.85 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL695894 0.85 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL8240271 0.84 MEN1 (0.49) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL5235533 0.84 MEN1 (0.49) MEN1ALDH1A1MAPTKMT2ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed