SCHEMBL24522947

SCHEMBL24522947

CCC(=O)OCCCCOc1cc(=O)oc2cc(OC)c(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.43
▸ KCNA3 P22001 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24522875 0.85 HDAC1 (0.39) HDAC1KCNA3HPGDALDH1A1CA12
SCHEMBL24522872 0.83 HDAC1 (0.37) HDAC1KCNA3KDM4EHPGDMAPK1
SCHEMBL24522850 0.80 HDAC1 (0.60) HDAC1KCNA3KDM4EHPGDALDH1A1
SCHEMBL24522754 0.79 PDE4D (0.39) HDAC1KCNA3KDM4EHPGDMAPK1
SCHEMBL24522784 0.77 GAA (0.38) HDAC1KCNA3KDM4EHPGDMAPK1
SCHEMBL24522849 0.77 KCNA3 (0.67) HDAC1KCNA3CA12CA9MAOB
SCHEMBL24522731 0.77 KCNA3 (0.67) HDAC1KCNA3CA12CA9MAOB
SCHEMBL24523081 0.76 ALDH1A1 (0.54) HDAC1KCNA3KDM4EHPGDMAPK1
SCHEMBL24522730 0.75 HDAC1 (0.52) HDAC1KCNA3KDM4EHPGDMAPK1
SCHEMBL24523029 0.72 HDAC1 (0.46) HDAC1KCNA3KDM4EHPGDMAPK1

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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