SCHEMBL2066729

SCHEMBL2066729

O=C(O)C[C@H](O)CC1CO1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.50
GABRR1 P24046 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL14346068 1.00 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL6035097 1.00 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL2066730 1.00 SLC22A6 (0.50) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL14524861 0.81 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL6706270 0.79 SLC22A6 (0.46) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL819583 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TDP1
SCHEMBL20788028 0.77 FOLH1 (0.43) SLC22A6SMN1; SMN2TDP1
SCHEMBL8570633 0.77 BHMT (0.37) SLC22A6SMN1; SMN2ALDH1A1TDP1CYP1A2
SCHEMBL5056493 0.76 GPR84 (0.47) SLC22A6GABRR1LMNAMAPTSMN1; SMN2
SCHEMBL1139716 0.76 GPR84 (0.47) SLC22A6GABRR1LMNAMAPTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080289056-A1 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES VERENIUM CORPORATION (US) 2008-11-20 US claimed
EP-1625223-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES Diversa Corporation (US) 2006-02-15 EP claimed
US-20050153407-A1 Chemoenzymatic methods for the synthesis of statins and stain intermediates VERENIUM CORPORATION 2005-07-14 US claimed
WO-2004027075-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STAIN INTERMEDIATES DIVERSA CORPORATION (US) 2004-04-01 WO claimed
US-8148324-B2 Aldolases, nucleic acids encoding them; improving thermal stability of enzyme; biosynthesis of atorvastatin, rosuvastatin, fluvastatin starting from e.g. acetaldehyde and chloroacetaldehyde, using enzyme 2-deoxyribose-5-phosphate aldolase (DERA) to form pyran intermediate VERENIUM CORPORATION (US) 2012-04-03 US disclosed
US-8148324-B2 Aldolases, nucleic acids encoding them; improving thermal stability of enzyme; biosynthesis of atorvastatin, rosuvastatin, fluvastatin starting from e.g. acetaldehyde and chloroacetaldehyde, using enzyme 2-deoxyribose-5-phosphate aldolase (DERA) to form pyran intermediate VERENIUM CORPORATION (US) 2012-04-03 US disclosed
US-20080289056-A1 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES VERENIUM CORPORATION (US) 2008-11-20 US disclosed
US-20080289056-A1 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES VERENIUM CORPORATION (US) 2008-11-20 US disclosed
US-7414119-B2 Aldolases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2008-08-19 US disclosed
EP-1625223-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES Diversa Corporation (US) 2006-02-15 EP disclosed
US-20050153407-A1 Chemoenzymatic methods for the synthesis of statins and stain intermediates VERENIUM CORPORATION 2005-07-14 US disclosed
WO-2004027075-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STAIN INTERMEDIATES DIVERSA CORPORATION (US) 2004-04-01 WO disclosed