SCHEMBL18746207

SCHEMBL18746207

C=COC(=O)C(C)(C)OCC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 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
SCHEMBL19506899 0.78
SCHEMBL3075927 0.76 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL8990432 0.76
SCHEMBL29048965 0.75 CYP4F2 (0.40) CYP4F2CYP4A11PKMALDH1A1TSHR
SCHEMBL20143506 0.74 TSHR (0.37) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL1002860 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
Alcohol SCHEMBL7595942 0.74 PRKCA (0.34) ALDH1A1TSHR
SCHEMBL1001452 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL445544 0.73 DGAT1 (0.39) CYP4F2CYP4A11PKMALDH1A1TSHR
SCHEMBL195662 0.73 CYP4F2 (0.56) CYP4F2CYP4A11PKMALDH1A1TSHR

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-9623145-B2 Thiol-ene polymerization with vinylesters and vinylcarbonate DePuy Synthes Products, Inc. (US) 2017-04-18 US disclosed