SCHEMBL24522933

SCHEMBL24522933

CCC(=O)OCCCCCCCCOc1cc(=O)oc2cc(OC(F)(F)C(F)(F)F)ccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.55
▸ PPARA Q07869 2/20 0.44
▸ KCNA3 P22001 1/20 0.44
▸ HTT P42858 1/20 0.41
▸ AGER Q15109 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL24522850 0.86 HDAC1 (0.60) HDAC1KCNA3HTTALDH1A1HPGD
SCHEMBL24522869 0.85 HDAC1 (0.47) HDAC1PPARAKCNA3AGERALDH1A1
SCHEMBL24522842 0.82 HDAC1 (0.45) HDAC1PPARAKCNA3HTTAGER
SCHEMBL24523081 0.80 ALDH1A1 (0.54) HDAC1KCNA3HTTALDH1A1KMT2A
SCHEMBL24522849 0.79 KCNA3 (0.67) HDAC1KCNA3MAOBCYP19A1
SCHEMBL24522731 0.79 KCNA3 (0.67) HDAC1KCNA3MAOBCYP19A1
SCHEMBL24522730 0.79 HDAC1 (0.52) HDAC1KCNA3HTTALDH1A1KMT2A
SCHEMBL24522964 0.77 PPARA (0.41) HDAC1PPARAHTTAGERALDH1A1
SCHEMBL24523029 0.73 HDAC1 (0.46) HDAC1KCNA3ALDH1A1KMT2AHPGD
SCHEMBL24522947 0.73 HDAC1 (0.43) HDAC1PPARAKCNA3HTTALDH1A1

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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