SCHEMBL7753034

SCHEMBL7753034

Cc1ccc([S@+]([O-])CC(=O)CC(=O)CC(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
KDM4A O75164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL7753032 1.00 EGLN1 (0.35) EGLN1KMT2ANPC1RAB9AMEN1
SCHEMBL7757191 1.00 EGLN1 (0.35) EGLN1KMT2ANPC1RAB9AMEN1
SCHEMBL7759008 0.84 TDP1 (0.36) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9457024 0.83 KMT2A (0.41) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9456923 0.83 KMT2A (0.41) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9456919 0.83 KMT2A (0.41) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL30929941 0.83 KMT2A (0.41) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL7759020 0.82 MMP9 (0.33) EGLN1KMT2ANPC1RAB9AMEN1
SCHEMBL9843695 0.78 ALDH1A1 (0.33) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9843698 0.78 ALDH1A1 (0.33) KMT2ANPC1RAB9AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805800-B1 METHOD FOR PREPARING (+)COMPACTIN AND (+)MEVINOLIN ANALOG COMPOUNDS HAVING A BETA-HYDROXY-DELTA-LACTONE GROUPING OREAL (FR) 2001-03-14 EP claimed
EP-0805800-A1 METHOD FOR PREPARING (+)COMPACTIN AND (+)MEVINOLIN ANALOG COMPOUNDS HAVING A BETA-HYDROXY-DELTA-LACTONE GROUPING L'OREAL (FR) 1997-11-12 EP claimed
WO-1997019917-A1 METHOD FOR PREPARING (+)COMPACTIN AND (+)MEVINOLIN ANALOG COMPOUNDS HAVING A β-HYDROXY-δ-LACTONE GROUPING L'OREAL (FR) 1997-06-05 WO claimed
US-6278001-B1 REACTING TRI-ANION OF ALKYL 3,5-DIOXOHEXANOATE COMPOUND WITH MENTHYL-P-TOLUENESULPHINATE COMPOUND; REDUCTION TO FORM HYDROXYL GROUPS; PROTECTING HYDROXYL GROUPS; REDUCTION OF SULPHOXIDE GROUP; FORMING ALDEHYDE GROUP; WITTIG REACTION L'ORÉAL (FR) 2001-08-21 US disclosed
EP-0805800-B1 METHOD FOR PREPARING (+)COMPACTIN AND (+)MEVINOLIN ANALOG COMPOUNDS HAVING A BETA-HYDROXY-DELTA-LACTONE GROUPING OREAL (FR) 2001-03-14 EP disclosed
EP-0805800-A1 METHOD FOR PREPARING (+)COMPACTIN AND (+)MEVINOLIN ANALOG COMPOUNDS HAVING A BETA-HYDROXY-DELTA-LACTONE GROUPING L'OREAL (FR) 1997-11-12 EP disclosed
WO-1997019917-A1 METHOD FOR PREPARING (+)COMPACTIN AND (+)MEVINOLIN ANALOG COMPOUNDS HAVING A β-HYDROXY-δ-LACTONE GROUPING L'OREAL (FR) 1997-06-05 WO disclosed