SCHEMBL8930328

SCHEMBL8930328

CCOC(=O)[C@@H](O)C(C)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 3/20 0.46
MMP8 P22894 3/20 0.46
RCE1 Q9Y256 1/20 0.45
MMP9 P14780 2/20 0.44
PIN1 Q13526 1/20 0.44
HSD17B10 Q99714 2/20 0.43
METAP2 P50579 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8930325 1.00 LMNA (0.52) LMNAL3MBTL1ALDH1A1MMP8RCE1
SCHEMBL21843008 0.90 ALDH1A1 (0.53) LMNAL3MBTL1ALDH1A1MMP8RCE1
SCHEMBL21843005 0.90 ALDH1A1 (0.53) LMNAL3MBTL1ALDH1A1MMP8RCE1
SCHEMBL9116854 0.86 L3MBTL1 (0.54) LMNAL3MBTL1ALDH1A1MMP8RCE1
SCHEMBL23485348 0.84 PTGS2 (0.57) LMNAL3MBTL1ALDH1A1MMP8PIN1
SCHEMBL12216811 0.84 PTGS2 (0.57) LMNAL3MBTL1ALDH1A1MMP8PIN1
SCHEMBL8215545 0.84 PTGS2 (0.57) LMNAL3MBTL1ALDH1A1MMP8PIN1
SCHEMBL1362201 0.83 SLC1A3 (0.51) LMNAL3MBTL1ALDH1A1MMP8RCE1
SCHEMBL1362199 0.83 SLC1A3 (0.51) LMNAL3MBTL1ALDH1A1MMP8RCE1
SCHEMBL1487164 0.83 SLC1A3 (0.51) LMNAL3MBTL1ALDH1A1MMP8RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577040-B1 Process for the preparation of (3R,5S)-6-hydroxy-3,5-O-isopropylidene-3,5-dihydroxy-hexanoic acid, tert.-butyl ester HOECHST AG (DE) 1997-09-24 EP claimed
US-5399722-A Process for preparing tert-butyl (3R,5S)-6-hydroxy-3,5--O--isopropylidene-3,5-dihydroxyhexanoate HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-21 US claimed
JP-6087851-A None JP disclosed
US-5399722-A Process for preparing tert-butyl (3R,5S)-6-hydroxy-3,5--O--isopropylidene-3,5-dihydroxyhexanoate HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
JP-H0687851-A PREPARATION OF TERT-BUTYL (3R,5S)-6-HYDROXY-2,5-O-ISOPROPYLIDENE-3,5-DIHYDROXYHEXANOATE HOECHST AG 1994-03-29 JP disclosed