SCHEMBL7746420

SCHEMBL7746420

CC1(C)C(C(=O)OCc2ccccc2Oc2ccccc2)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 5/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
RIPK1 Q13546 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH1 P35367 1/20 0.42
CTNNB1 P35222 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK8 P45983 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.40

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
SCHEMBL7979384 0.85 MEN1 (0.41) FFAR1FFAR4SLC6A4MEN1KMT2A
SCHEMBL9509117 0.80 MAPT (0.51) FFAR1FFAR4SLC6A2SLC6A4RIPK1
SCHEMBL5316252 0.79 ALDH1A1 (0.53) FFAR1FFAR4SLC6A2SLC6A4RIPK1
SCHEMBL3673526 0.79 FFAR1 (0.55) FFAR1FFAR4SLC6A2SLC6A4RIPK1
SCHEMBL11321986 0.78 TDP1 (0.43) FFAR1FFAR4SLC6A2SLC6A4RIPK1
SCHEMBL8624463 0.78 TDP1 (0.68) FFAR1FFAR4SLC6A2SLC6A4RIPK1
SCHEMBL6150724 0.78 FFAR1 (0.51) FFAR1FFAR4SLC6A2SLC6A4RIPK1
SCHEMBL9558466 0.77 LMNA (0.45) CTNNB1TDP1L3MBTL1
SCHEMBL396585 0.77 TDP1 (0.64) FFAR1FFAR4MEN1KMT2ATDP1
SCHEMBL7169077 0.76 ALDH1A1 (0.53) FFAR1FFAR4SLC6A2SLC6A4RIPK1

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
WO-2001042196-A1 ESTER COMPOUNDS, INTERMEDIATES FOR THE ESTER COMPOUNDS AND PESTICIDAL METHODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-14 WO disclosed
EP-0058505-B1 PREPARATION OF ESTERS CONTAINING AN ALPHA-CYANO GROUP IN THE ALCOHOL PORTION OF THE ESTERS FMC Corporation (US) 1985-05-29 EP disclosed