SCHEMBL10087481

SCHEMBL10087481

OCC1C[C@H](O)C[C@@H](CCl)O1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4289629 0.79 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL4289622 0.79 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL14940213 0.79 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL14134967 0.79 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL18654231 0.77 CHRM2 (0.31)
SCHEMBL10419624 0.77
SCHEMBL4466560 0.77
SCHEMBL24240747 0.76
SCHEMBL10033827 0.76
SCHEMBL64601 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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