SCHEMBL14770357

SCHEMBL14770357

COCCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCO

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
TSHR P16473 2/20 0.35
ACHE P22303 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
SCHEMBL13989220 0.88 TSHR (0.34) CYP4F2CYP4A11TSHR
SCHEMBL13779183 0.85 TSHR (0.35) CYP4F2CYP4A11TSHR
SCHEMBL10000291 0.85 CYP4F2 (0.44) CYP4F2CYP4A11TSHR
SCHEMBL13100924 0.82 CYP4F2 (0.46) CYP4F2CYP4A11TSHRACHE
SCHEMBL16866690 0.82 CYP4F2 (0.55) CYP4F2CYP4A11TSHRACHE
SCHEMBL20512197 0.82 TSHR (0.38) CYP4F2CYP4A11TSHR
SCHEMBL10036693 0.82 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL17678856 0.80 TSHR (0.33) TSHR
SCHEMBL16078099 0.79 TSHR (0.38) TSHR
SCHEMBL25503183 0.79 CYP4F2 (0.41) CYP4F2CYP4A11

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-20130064772-A1 INFECTION ACTIVATED WOUND CARING COMPOSITIONS AND DEVICES INDICATOR SYSTEMS INTERNATIONAL, INC. 2013-03-14 US disclosed