SCHEMBL7724385

SCHEMBL7724385

O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)OCc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GPBAR1 Q8TDU6 4/20 0.38
GAA P10253 1/20 0.38
NR4A2 P43354 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7734167 1.00 MMP1 (0.39) MMP1MMP2MMP9MMP12FABP7
SCHEMBL7732999 1.00 MMP1 (0.39) MMP1MMP2MMP9MMP12FABP7
SCHEMBL7724406 0.86 HPGD (0.44) MMP1MMP2MMP9MMP12FABP7
SCHEMBL7735227 0.86 HPGD (0.44) MMP1MMP2MMP9MMP12FABP7
SCHEMBL7737008 0.86 HPGD (0.44) MMP1MMP2MMP9MMP12FABP7
SCHEMBL7733042 0.86 FABP7 (0.54) FABP7FABP5NPC1RAB9AKMT2A
SCHEMBL7734190 0.86 FABP7 (0.54) FABP7FABP5NPC1RAB9AKMT2A
SCHEMBL7735194 0.86 FABP7 (0.54) FABP7FABP5NPC1RAB9AKMT2A
SCHEMBL7724393 0.84 FABP7 (0.54) MMP1MMP9FABP7FABP5NPC1
SCHEMBL7734247 0.84 FABP7 (0.54) MMP1MMP9FABP7FABP5NPC1

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