SCHEMBL24522689

SCHEMBL24522689

C=CC(=O)OCCCC(CCCOc1cc(=O)oc2ccccc12)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ KCNA3 P22001 1/20 0.49
▸ MAOB P27338 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ PTGS2 P35354 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
SCHEMBL24522650 0.86 KCNA3 (0.62) CA12CA1CA9KCNA3MAOB
SCHEMBL24522988 0.86 KCNA3 (0.62) CA12CA1CA9KCNA3MAOB
SCHEMBL24522975 0.86 KCNA3 (0.62) CA12CA1CA9KCNA3MAOB
SCHEMBL24522688 0.86 KCNA3 (0.62) CA12CA1CA9KCNA3MAOB
SCHEMBL24522779 0.85 KCNA3 (0.53) CA12CA1CA9KCNA3MAOB
SCHEMBL24522939 0.82 KCNA3 (0.56) CA12CA1CA9KCNA3MAOB
SCHEMBL24522723 0.80 CA12 (0.54) CA12CA1CA9KCNA3MAOB
SCHEMBL24522809 0.79 CA12 (0.56) CA12CA1CA9KCNA3MAOB
SCHEMBL24522718 0.79 CA12 (0.55) CA12CA1CA9KCNA3MAOB
SCHEMBL24522860 0.75 KCNA3 (0.44) CA12CA1CA9KCNA3PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022128832-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-06-23 — — WO disclosed
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 — — EP disclosed
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