SCHEMBL28218969

SCHEMBL28218969

S=C(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.48
HCAR2 Q8TDS4 1/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL3065042 0.87 CA12 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL1722105 0.85 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL3068719 0.85 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL15956608 0.84 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL3678481 0.83 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL11753023 0.83 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL3367103 0.81 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL42485 0.81 ALDH1A1 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL1478220 0.81 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL10767903 0.81 CA12 (0.61) CA12CA1CA2CA9ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114765987-B Heat and UV curable adhesive composition 汉高股份有限及两合公司 2025-01-24 CN disclosed
CN-114765987-A Heat and UV curable adhesive composition 汉高股份有限及两合公司 2022-07-19 CN disclosed
CN-108727229-A A kind of new technology route of modified fatty acid type PET reagent precursors 北京先通国际医药科技股份有限公司 2018-11-02 CN disclosed
CN-108135850-A MODULAR COMPOSITIONS FOR SCAVENGING SOLUBLE BIOMOLECULES AND METHODS RELATED THERETO 纳米提克斯有限责任公司 2018-06-08 CN disclosed