SCHEMBL7724406

SCHEMBL7724406

Cc1ccc(COC(=O)[C@H]2[C@@H]3CCC(=O)[C@@H]32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
NAAA Q02083 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
FABP7 O15540 4/20 0.39
FABP5 Q01469 4/20 0.39
GRIN2B Q13224 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7735227 1.00 HPGD (0.44) HPGDNAAACA1CA2ALDH1A1
SCHEMBL7737008 1.00 HPGD (0.44) HPGDNAAACA1CA2ALDH1A1
SCHEMBL7732300 0.87 FABP7 (0.54) HPGDALDH1A1MAPTMMP1MMP9
SCHEMBL7724393 0.87 FABP7 (0.54) HPGDALDH1A1MAPTMMP1MMP9
SCHEMBL7734247 0.87 FABP7 (0.54) HPGDALDH1A1MAPTMMP1MMP9
SCHEMBL7724385 0.86 MMP1 (0.39) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL7732999 0.86 MMP1 (0.39) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL7734167 0.86 MMP1 (0.39) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL7734190 0.86 FABP7 (0.54) HPGDALDH1A1FABP7FABP5MAPK1
SCHEMBL7733042 0.86 FABP7 (0.54) HPGDALDH1A1FABP7FABP5MAPK1

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
US-6407284-B1 CONTACTING WITH ENZYME; HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-18 US disclosed