SCHEMBL24522862

SCHEMBL24522862

C=CCCCCCCCOc1cc(=O)oc2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ KCNA3 P22001 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37

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
SCHEMBL24522922 0.84 KCNA3 (0.48) CA12CA1CA9KCNA3ABCG2
SCHEMBL24522860 0.84 KCNA3 (0.44) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL3918101 0.81 KCNA3 (0.49) CA12CA1CA9KCNA3ABCG2
SCHEMBL24531623 0.78 POLB (0.43) CA12CA1CA9KCNA3HDAC1
SCHEMBL30537338 0.78 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL30537328 0.78 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL29054934 0.78 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL29054817 0.78 HDAC1 (0.61) KCNA3HDAC1
SCHEMBL24522768 0.77 CA12 (0.41) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL30537363 0.76 HDAC1 (0.60) KCNA3HDAC1

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
Send feedback