SCHEMBL14802136

SCHEMBL14802136

CN(C)C(=O)CC(=O)C[C@H](O)CCl

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 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
SCHEMBL3215456 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14212308 0.77 KDM4E (0.38) ALDH1A1CA1CA2CA9
SCHEMBL1136022 0.74 SLC22A6 (0.42) CA1CA2CA9
SCHEMBL2227119 0.74 SLC22A6 (0.42) CA1CA2CA9
SCHEMBL3439292 0.74 SLC22A6 (0.42) CA1CA2CA9
SCHEMBL14802137 0.73 ALDH1A1 (0.31) ALDH1A1CA1CA2CA9
SCHEMBL11296638 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14297014 0.73 GAA (0.50) ALDH1A1
SCHEMBL14902216 0.72 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1135909 0.68 CYP2D6 (0.41) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404841-B2 Process for the preparation of statins and their pharmaceutically acceptable salts thereof MSN LABORATORIES LIMITED (IN) 2013-03-26 US disclosed