SCHEMBL7724393

SCHEMBL7724393

COc1ccc(COC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.54
FABP5 Q01469 1/20 0.54
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
FFAR1 O14842 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
SCHEMBL7734247 1.00 FABP7 (0.54) FABP7FABP5ALDH1A1HTTMAPK1
SCHEMBL7732300 1.00 FABP7 (0.54) FABP7FABP5ALDH1A1HTTMAPK1
SCHEMBL7735227 0.87 HPGD (0.44) FABP7FABP5ALDH1A1MAPK1MAPT
SCHEMBL7737008 0.87 HPGD (0.44) FABP7FABP5ALDH1A1MAPK1MAPT
SCHEMBL7724406 0.87 HPGD (0.44) FABP7FABP5ALDH1A1MAPK1MAPT
SCHEMBL7734167 0.84 MMP1 (0.39) FABP7FABP5ALDH1A1NPC1RAB9A
SCHEMBL7732999 0.84 MMP1 (0.39) FABP7FABP5ALDH1A1NPC1RAB9A
SCHEMBL7724385 0.84 MMP1 (0.39) FABP7FABP5ALDH1A1NPC1RAB9A
SCHEMBL7734190 0.84 FABP7 (0.54) FABP7FABP5ALDH1A1MAPK1SMN1; SMN2
SCHEMBL7733042 0.84 FABP7 (0.54) FABP7FABP5ALDH1A1MAPK1SMN1; SMN2

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