SCHEMBL19923331

SCHEMBL19923331

O=[C]/C=C/CCCCCCCCCCCCCC[C]=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.35
EPAS1 Q99814 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
SCHEMBL17334532 0.90
SCHEMBL15053021 0.90
SCHEMBL19923323 0.85 ALDH1A1 (0.32)
SCHEMBL423333 0.79
SCHEMBL10672399 0.79
SCHEMBL8320680 0.78 FAAH (0.50)
SCHEMBL158906 0.76 FAAH (0.54)
SCHEMBL7352848 0.76 TSHR (0.42)
SCHEMBL2163660 0.76 FAAH (0.54)
SCHEMBL9696115 0.76 FAAH (0.54)

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-10451641-B2 Compositions and methods for metabolic profiling in subjects with heart failure with preserved ejection fraction DUKE UNIVERSITY (US) 2019-10-22 US disclosed
US-20180067137-A1 COMPOSITIONS AND METHODS FOR METABOLIC PROFILING IN SUBJECTS WITH HEART FAILURE WITH PRESERVED EJECTION FRACTION DUKE UNIVERSITY (US) 2018-03-08 US disclosed