SCHEMBL10074938

SCHEMBL10074938

CC(=O)[C@H](O)C(C)(C)CO

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
KCNH2 Q12809 1/20 0.48
VNN1 O95497 11/20 0.36
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Pantoic Acid SCHEMBL7781736 0.79 PTGS1 (0.48) PTGS1KCNH2VNN1ALDH1A1
SCHEMBL18611857 0.79 ALDH1A1 (0.32) PTGS1KCNH2ALDH1A1TDP1
Pantoic Acid SCHEMBL29112230 0.79 PTGS1 (0.48) PTGS1KCNH2VNN1ALDH1A1
SCHEMBL1781697 0.79 ALDH1A1 (0.32) PTGS1KCNH2ALDH1A1TDP1
Pantoic Acid SCHEMBL213981 0.79 PTGS1 (0.48) PTGS1KCNH2VNN1ALDH1A1
Pantoic Acid SCHEMBL213982 0.79 PTGS1 (0.48) PTGS1KCNH2VNN1ALDH1A1
Pantoic Acid SCHEMBL11575367 0.77 PTGS1 (0.47) PTGS1KCNH2VNN1ALDH1A1
Pantoic Acid SCHEMBL11576289 0.77 PTGS1 (0.47) PTGS1KCNH2VNN1ALDH1A1TDP1
Pantoic Acid SCHEMBL9630838 0.77 PTGS1 (0.47) PTGS1KCNH2VNN1ALDH1A1
Pantoic Acid SCHEMBL11575357 0.77 PTGS1 (0.47) PTGS1KCNH2VNN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 US disclosed