SCHEMBL20220697

SCHEMBL20220697

CCCCCC/C=C\C=C1\CC(C)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
PPARG P37231 2/20 0.40
PRKCA P17252 5/20 0.38
FASN P49327 1/20 0.37
MAOA P21397 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35

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
SCHEMBL20057445 1.00 ALDH1A1 (0.43) ALDH1A1TSHRPPARGPRKCAFASN
SCHEMBL19831658 1.00 ALDH1A1 (0.43) ALDH1A1TSHRPPARGPRKCAFASN
SCHEMBL9254632 0.83 PRKCA (0.51) PPARGPRKCA
SCHEMBL664841 0.83 PRKCA (0.51) PPARGPRKCA
SCHEMBL663160 0.83 PRKCA (0.51) PPARGPRKCA
SCHEMBL10186550 0.83 PRKCA (0.51) PPARGPRKCA
SCHEMBL666234 0.83 PRKCA (0.51) PPARGPRKCA
SCHEMBL10186552 0.83 PRKCA (0.51) PPARGPRKCA
SCHEMBL21182172 0.83 PRKCA (0.51) PPARGPRKCA
SCHEMBL10186551 0.83 PRKCA (0.51) PPARGPRKCA

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
EP-3524657-B1 COMPOSITIONS COMPRISING HFC-1234YF AND HFC-32 CHEMOURS CO FC LLC (US) 2020-11-04 EP disclosed
EP-3330339-A1 COMPOSITIONS COMPRISING HFC-1234ZE The Chemours Company FC, LLC (US) 2018-06-06 EP disclosed