SCHEMBL14469764

SCHEMBL14469764

CCC(C)(C)C(=O)CCOC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL15780105 0.88 FAAH (0.32)
SCHEMBL18716820 0.85 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL14542295 0.84 FAAH (0.37) ALDH1A1
SCHEMBL13997758 0.79 MAPK1 (0.32)
SCHEMBL16731488 0.79 CYP4F2 (0.32)
SCHEMBL22939937 0.79 HTR2C (0.41)
SCHEMBL13892337 0.78 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL10033882 0.77 CYP4F2 (0.35) ALDH1A1
SCHEMBL12452017 0.75 NAAA (0.44) ALDH1A1
SCHEMBL13860446 0.75 LPAR3 (0.44)

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-20070155912-A1 Polyhydroxyalkanoate having ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2007-07-05 US disclosed