SCHEMBL24522754

SCHEMBL24522754

COc1cc2oc(=O)cc(OCCCCOC(=O)C(C)(C)CCC(C)C)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.39
▸ HDAC1 Q13547 2/20 0.35
▸ KCNA3 P22001 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ CA12 O43570 5/20 0.31
▸ CA9 Q16790 5/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL24522844 0.81 KCNA3 (0.53) KCNA3CA12CA9CA1MAOB
SCHEMBL24522749 0.81 KCNA3 (0.53) KCNA3CA12CA9CA1MAOB
SCHEMBL24522947 0.79 HDAC1 (0.43) HDAC1KCNA3KDM4EPPARAPOLB
SCHEMBL24522842 0.78 HDAC1 (0.45) HDAC1KCNA3KDM4EPPARACYP19A1
SCHEMBL24522875 0.77 HDAC1 (0.39) PDE4DHDAC1KCNA3CA12CA9
SCHEMBL24522872 0.75 HDAC1 (0.37) PDE4DHDAC1KCNA3KDM4EPPARA
SCHEMBL24522950 0.73 KCNA3 (0.45) KCNA3CA12CA9CA1MAOB
SCHEMBL24523042 0.70 HDAC1 (0.33) HDAC1
SCHEMBL24522986 0.68 SMN1; SMN2 (0.37) PPARAPOLBMAOBLMNAHPGD
SCHEMBL24523006 0.66 ALDH1A1 (0.49) KCNA3CA12CA9CA1

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-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 — — EP disclosed
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