SCHEMBL9305699

SCHEMBL9305699

CC(C)(OC(=O)CCl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.35
PPARG P37231 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.32
FABP2 P12104 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL4675418 0.78 FFAR3 (0.36) PPARACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL26292497 0.77 DGAT1 (0.40) KMT2ATSHR
SCHEMBL140252 0.77
SCHEMBL7815186 0.76 PPARA (0.33) PPARACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL1258085 0.76 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL25946794 0.76 TRPA1 (0.41) PPARACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL25946603 0.76 PPARA (0.33) PPARACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL26307779 0.76 PAM (0.34) TSHR
SCHEMBL12539245 0.75 TDP1 (0.36) CYP2D6MEN1KMT2ATSHR
SCHEMBL23292877 0.74 ALDH1A1 (0.48) PPARACYP2D6CYP2C19TSHRPPARG

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-5326887-A Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-05 US disclosed