SCHEMBL24522780

SCHEMBL24522780

O=COCCCCCOc1cc(=O)oc2cc(SC3CCCCC3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.40
▸ HDAC1 Q13547 2/20 0.38
▸ MAOB P27338 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ACHE P22303 2/20 0.34

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
SCHEMBL24523083 0.88 KCNA3 (0.41) KCNA3HDAC1MAOBMAOAACHE
SCHEMBL24522942 0.86 HDAC1 (0.40) KCNA3HDAC1MAOBMAOAACHE
SCHEMBL24522636 0.81 HDAC1 (0.41) KCNA3HDAC1MAOBMAOAACHE
SCHEMBL24522982 0.81 KCNA3 (0.41) KCNA3HDAC1MAOBMAOACA12
SCHEMBL24522768 0.78 CA12 (0.41) KCNA3HDAC1MAOBMAOACA12
SCHEMBL24531790 0.77 HDAC1 (0.37) KCNA3HDAC1MAOBMAOAACHE
SCHEMBL24522961 0.76 KCNA3 (0.42) KCNA3HDAC1MAOBMAOA
SCHEMBL24522770 0.73 KCNA3 (0.45) KCNA3HDAC1CA12CA1CA9
SCHEMBL24523069 0.72 MAOA (0.45) MAOBMAOA
SCHEMBL24523095 0.72 ALDH1A1 (0.51) MAOBMAOACA12CA1CA9

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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