SCHEMBL24522730

SCHEMBL24522730

CCC(=O)OCCCCCCCOc1cc(=O)oc2cc(N(C)C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.52
▸ KCNA3 P22001 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ IGLV6-57 P01721 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ GLA P06280 1/20 0.39

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
SCHEMBL24523081 0.90 ALDH1A1 (0.54) HDAC1KCNA3ALDH1A1MAPTIGLV6-57
SCHEMBL24522991 0.85 HDAC1 (0.46) HDAC1KCNA3ALDH1A1MAPTIGLV6-57
SCHEMBL24522850 0.83 HDAC1 (0.60) HDAC1KCNA3ALDH1A1HPGDKDM4E
SCHEMBL24522849 0.83 KCNA3 (0.67) HDAC1KCNA3
SCHEMBL24522731 0.83 KCNA3 (0.67) HDAC1KCNA3
SCHEMBL24522770 0.81 KCNA3 (0.45) HDAC1KCNA3ALDH1A1MAPTIGLV6-57
SCHEMBL24522641 0.79 ALDH1A1 (0.53) HDAC1KCNA3ALDH1A1MAPTIGLV6-57
SCHEMBL24522933 0.79 HDAC1 (0.55) HDAC1KCNA3ALDH1A1KMT2AHPGD
SCHEMBL24522868 0.78 ALDH1A1 (0.52) HDAC1KCNA3ALDH1A1MAPTIGLV6-57
SCHEMBL24531786 0.76 ALDH1A1 (0.58) HDAC1KCNA3ALDH1A1MAPTIGLV6-57

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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