SCHEMBL8058233

SCHEMBL8058233

CC(O)COC(C)COC(C)CO.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTT P42858 3/20 0.39
TRPA1 O75762 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 2/20 0.37
RGS12 O14924 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL27958410 0.93 CA1 (0.41) TSHRCA1CA2CA7CA9
SCHEMBL2781953 0.89 CA1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL872641 0.87 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL23423410 0.85 MAPT (0.43) TSHRCA1CA2CA7CA9
SCHEMBL872642 0.85 MAPT (0.43) TSHRCA1CA2CA7CA9
SCHEMBL2781956 0.85 MAPT (0.43) TSHRCA1CA2CA7CA9
SCHEMBL11852346 0.85 LMNA (0.36) TSHRCA1CA2CA7CA9
Benzene SCHEMBL27872569 0.83 TDP1 (0.48) LMNATDP1MAPK1
Phenol SCHEMBL28559269 0.82 LMNA (0.47) TSHRCA1CA2CA9KMT2A
Propylene Glycol SCHEMBL5533372 0.82 TSHR (0.62) TSHRCA1CA2CA7CA9

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
CN-119546740-A Cleaning agent for hard surfaces 轨迹方案IPCO有限责任公司 2025-02-28 CN disclosed
JP-2000008079-A DETERGENT COMPOSITION FOR OFFSET PRINTER TOYO RIKEN KK 2000-01-11 JP disclosed