SCHEMBL9840001

SCHEMBL9840001

CC(C)OC(=O)COC(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TRPA1 O75762 2/20 0.48
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL140868 0.84
SCHEMBL17768384 0.81
SCHEMBL7065453 0.80 LMNA (0.45) ALDH1A1CYP2C19LMNAMAPTTSHR
SCHEMBL7820591 0.78 LMNA (0.39) ALDH1A1LMNAMAPTTSHRCYP2D6
SCHEMBL26297130 0.78 LMNA (0.39) ALDH1A1LMNAMAPTTSHRCYP2D6
SCHEMBL7064365 0.77 TSHR (0.52) ALDH1A1LMNAMAPTTSHRCYP2D6
SCHEMBL8247631 0.77 LMNA (0.42) ALDH1A1L3MBTL1LMNAMAPTTSHR
SCHEMBL9313924 0.76 LMNA (0.41) ALDH1A1LMNAMAPTTSHRCYP2D6
SCHEMBL7064363 0.76 LMNA (0.41) ALDH1A1LMNAMAPTTSHRCYP2D6
SCHEMBL19864351 0.75 LMNA (0.37) ALDH1A1LMNAMAPTTSHRCYP2D6

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
US-5051530-A Ester derivatives and process for production thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1991-09-24 US claimed
US-5051530-A Ester derivatives and process for production thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1991-09-24 US disclosed