SCHEMBL14802137

SCHEMBL14802137

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 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
SCHEMBL13428898 0.81 LMNA (0.33) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL3214325 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4191125 0.79 ALDH1A1 (0.31) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL4191129 0.76 GABRR1 (0.33) CHRNB2CHRNB4CHRNA4
SCHEMBL14802136 0.73 ALDH1A1 (0.31) ALDH1A1CA1CA2CA9
SCHEMBL14003311 0.73 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL17204173 0.73 SLC22A6 (0.57) CA1CA2CA9
SCHEMBL1135965 0.73 SLC22A6 (0.57) CA1CA2CA9
SCHEMBL30641549 0.73 SLC22A6 (0.57) CA1CA2CA9
SCHEMBL2227091 0.73 SLC22A6 (0.57) CA1CA2CA9

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