SCHEMBL28898305

SCHEMBL28898305

CCOC(=O)C1C(CC)=CC(C)=CC1(CC)C(=O)OCC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 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
O-Xylene SCHEMBL28898303 0.93 TSHR (0.34) GAATSHR
SCHEMBL11524279 0.66 ALDH1A1 (0.39) GAAMAPK1POLBTSHR
SCHEMBL29175061 0.64 BRD4 (0.38) GAAMAPK1TSHR
SCHEMBL11526857 0.62 LMNA (0.33) GAAPOLBTSHR
SCHEMBL114467 0.61 ALDH1A1 (0.40) GAATSHR
SCHEMBL8758789 0.60
SCHEMBL24220059 0.60 ALDH1A1 (0.41) GAAPOLBTSHR
SCHEMBL7724533 0.59 KDM4E (0.31) GAAMAPK1POLBTSHR
SCHEMBL11371082 0.59 GAA (0.33) GAAMAPK1POLB
SCHEMBL31088253 0.59 PPARA (0.34) POLBTSHR

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-111440192-B Method for preparing pinoxaden intermediate through micro-channel 山东华科化工有限公司 2022-11-25 CN claimed
CN-111440192-B Method for preparing pinoxaden intermediate through micro-channel 山东华科化工有限公司 2022-11-25 CN disclosed