SCHEMBL29008201

SCHEMBL29008201

CC(C)COC(=O)c1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
TSHR P16473 1/20 0.66
SLC6A3 Q01959 1/20 0.63
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL1283916 0.86 ALDH1A1 (0.72) ALDH1A1TSHRSLC6A3MAPTKMT2A
SCHEMBL1862889 0.85 ALDH1A1 (0.70) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL28026178 0.84 ALDH1A1 (0.68) ALDH1A1TSHRSLC6A3MAPTKMT2A
SCHEMBL10786068 0.84 ALDH1A1 (0.68) ALDH1A1TSHRSLC6A3MAPTKMT2A
SCHEMBL1913917 0.83 ALDH1A1 (0.51) ALDH1A1TSHRSLC6A3MAPTKMT2A
SCHEMBL5706020 0.83 SLC6A3 (0.69) ALDH1A1TSHRSLC6A3MAPTKMT2A
SCHEMBL1282667 0.83 ALDH1A1 (0.62) ALDH1A1TSHRSLC6A3MAPTKMT2A
Benzoic Acid 2-Methylpropyl Ester SCHEMBL298176 0.82 TSHR (0.69) ALDH1A1TSHRSLC6A3MAPTKMT2A
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.82 TSHR (0.69) ALDH1A1TSHRSLC6A3MAPTKMT2A
SCHEMBL1073248 0.81 ALDH1A1 (0.74) ALDH1A1TSHRMAPTKMT2AMEN1

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
CN-115818875-A Separation and recovery system and method for Z-N type catalytic filtrate 国家能源集团宁夏煤业有限责任公司 2023-03-21 CN disclosed