SCHEMBL1103740

SCHEMBL1103740

CC(C)C(C)OP(C)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
LAP3 P28838 1/20 0.36
CTSA P10619 1/20 0.32
ACHE P22303 1/20 0.32
SMPD1 P17405 3/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL16543213 0.81 CA2 (0.35) CA2CTSAACHESMPD1GABBR2
SCHEMBL2474410 0.80 LAP3 (0.38) CA2LAP3CTSAACHE
SCHEMBL2475819 0.80 LAP3 (0.38) CA2LAP3CTSAACHESMPD1
SCHEMBL12960884 0.80 LAP3 (0.38) CA2LAP3CTSAACHESMPD1
Ammonia Solution, Strong SCHEMBL28407531 0.78 LAP3 (0.36) CA2LAP3CTSAACHESMPD1
SCHEMBL25787084 0.77 LAP3 (0.33) LAP3
SCHEMBL9961557 0.77 CTSA (0.35) CTSAACHE
SCHEMBL587875 0.77
SCHEMBL17626559 0.74
SCHEMBL17626429 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-8152908-B2 Micromachined gas chromatography columns for fast separation of Organophosphonate and Organosulfur compounds and methods for deactivating same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-04-10 US disclosed
US-20090211452-A1 Micromachined Gas Chromatography Columns For Fast Separation of Organophosphonate and Organosulfur Compounds and Methods for Deactivating Same THE REGENTS OF THE UNIVERSITY OF ILLINOIS 2009-08-27 US disclosed