SCHEMBL21697488

SCHEMBL21697488

C=C(/C=C\C(=C/C)Oc1cc(C=O)ccc1C(C)=O)OCCOC1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21697491 0.73 CYSLTR2 (0.35) ALDH1A1
SCHEMBL21697493 0.70 ATF4 (0.36) ALDH1A1
SCHEMBL21697456 0.66 PDE4D (0.34)
SCHEMBL17899132 0.62 MAPT (0.41) ALDH1A1
SCHEMBL17931463 0.62 ALDH1A1 (0.42) ALDH1A1
SCHEMBL28970514 0.61 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7033712 0.60 ALDH1A1 (0.61) ALDH1A1
SCHEMBL17888598 0.60 PARP10 (0.38) ALDH1A1
SCHEMBL17888595 0.59 MAPT (0.44) ALDH1A1
SCHEMBL21697463 0.59 HPGD (0.37) ALDH1A1

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
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed