SCHEMBL8655575

SCHEMBL8655575

COC(=O)OC1(OC(=O)OC)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9571883 0.85 ALDH1A1 (0.33) ALDH1A1POLB
SCHEMBL7625133 0.84 NPSR1 (0.33) ALDH1A1
SCHEMBL9571890 0.82 SMN1; SMN2 (0.43) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2234352 0.78 CYP3A4 (0.33) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL8654680 0.78 ALDH1A1 (0.44) CYP3A4CYP2C9CYP2C19ALDH1A1RECQL
SCHEMBL8773260 0.77 NPSR1 (0.39) CYP3A4CYP2C9ALDH1A1MAPTL3MBTL1
SCHEMBL7932551 0.76
SCHEMBL9571887 0.75 LMNA (0.36) CYP2C19ALDH1A1RECQLPOLB
SCHEMBL377102 0.75
SCHEMBL8773195 0.74 LMNA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP claimed
EP-0546409-B1 Method for the preparation of tetrahydropyrancarboxylic esters BASF AG (DE) 1998-10-21 EP disclosed
EP-0671380-B1 Process for the catalytic splitting off of carboxylic ester and acyl groups from organic compounds BASF AG (DE) 1997-10-29 EP disclosed
EP-0549898-B1 Method for the preparation of primaryl alcohols BASF AG (DE) 1996-02-07 EP disclosed
EP-0546395-B1 Method for the preparation of carboxylic esters BASF AG (DE) 1995-10-25 EP disclosed
EP-0671380-A1 Process for the catalytic splitting off of carboxylic ester and acyl groups from organic compounds BASF AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
EP-0549898-A1 Method for the preparation of primaryl alcohols BASF Aktiengesellschaft (DE) 1993-07-07 EP disclosed
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP disclosed
EP-0546395-A1 Method for the preparation of carboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP disclosed