SCHEMBL9788016

SCHEMBL9788016

CCOCC(OCC)C(C)=C(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PPARA Q07869 2/20 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
SCHEMBL19408671 0.78 PPARA (0.41) ALDH1A1TSHRPPARA
SCHEMBL28052418 0.78 ALDH1A1 (0.37) ALDH1A1TSHRPPARA
SCHEMBL8903595 0.78 PPARA (0.41) ALDH1A1TSHRPPARA
SCHEMBL28761792 0.76 THRB (0.32) PPARA
SCHEMBL10969264 0.72 LMNA (0.35) ALDH1A1
SCHEMBL27974509 0.72 ALDH1A1 (0.39) ALDH1A1TSHR
Potassium Ion SCHEMBL28599223 0.71 PPARA (0.33) ALDH1A1TSHRPPARA
SCHEMBL6422713 0.71 TSHR (0.37) ALDH1A1TSHR
Acetic Acid SCHEMBL10508445 0.70 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL9316254 0.70 THRB (0.32)

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-5042144-A Method of formation of bio-electrode lamina HEALTH CONCEPTS, INC. (US) 1991-08-27 US disclosed