SCHEMBL21535992

SCHEMBL21535992

CC(C)OC1C(CO)OC(C(C)C)C(O)C1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
TYR P14679 4/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
AMY1A P0DUB6 1/20 0.30

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
SCHEMBL25826964 1.00 MAPK1 (0.34) MAPK1ALDH1A1TSHRLMNATDP1
SCHEMBL25826968 1.00 MAPK1 (0.34) MAPK1ALDH1A1TSHRLMNATDP1
SCHEMBL27422369 0.86 MAPK1 (0.40) MAPK1ALDH1A1TSHRLMNATDP1
SCHEMBL27421621 0.86 MAPK1 (0.40) MAPK1ALDH1A1TSHRLMNATDP1
SCHEMBL25985135 0.86 MAPK1 (0.40) MAPK1ALDH1A1TSHRLMNATDP1
SCHEMBL24758832 0.85 MAPK1 (0.41) MAPK1ALDH1A1THRBTYRAMY1A
SCHEMBL21783074 0.85 MAPK1 (0.41) MAPK1ALDH1A1THRBTYRAMY1A
SCHEMBL13475415 0.85 MAPK1 (0.32) MAPK1ALDH1A1TSHRLMNATDP1
SCHEMBL21446886 0.84 AMY2A (0.39) MAPK1ALDH1A1TSHRLMNATDP1
SCHEMBL20748417 0.82 MAPK1 (0.36) MAPK1ALDH1A1THRBCA1CA2

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
EP-4013194-A1 AQUEOUS ALKALINE CLEANER SOLUTION FOR GLASS FILLER REMOVAL AND METHOD Atotech Deutschland GmbH & Co. KG (DE) 2022-06-15 EP disclosed
US-20190334162-A1 GRANULAR COMPOSITE, NEGATIVE ELECTRODE FOR LITHIUM ION SECONDARY BATTERY, AND METHOD FOR MANUFACTURING SAME SHOWA DENKO K.K. (JP) 2019-10-31 US disclosed