SCHEMBL24522922

SCHEMBL24522922

O=COCCCCCCCOc1cc(=O)oc2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 3/20 0.48
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38

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
SCHEMBL24522862 0.84 CA12 (0.48) KCNA3CA12CA1CA9ABCG2
SCHEMBL3918101 0.82 KCNA3 (0.49) KCNA3CA12CA1CA9ABCG2
SCHEMBL24522860 0.80 KCNA3 (0.44) KCNA3CA12CA1CA9ABCG2
SCHEMBL30537338 0.79 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL29054817 0.79 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL29054934 0.79 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL30537328 0.79 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL29054829 0.77 HDAC1 (0.60) KCNA3HDAC1
SCHEMBL30537363 0.77 HDAC1 (0.60) KCNA3HDAC1
SCHEMBL24531623 0.77 POLB (0.43) KCNA3CA12CA1CA9MEN1

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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