SCHEMBL24523082

SCHEMBL24523082

O=c1cc(OCCCCCCCCCCCO)c2ccccc2o1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.72
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA9 Q16790 1/20 0.58
MAOB P27338 1/20 0.56
CYP19A1 P11511 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL9188366 1.00 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24522855 1.00 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL6599915 0.94 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL6592785 0.90 KCNA3 (0.69) KCNA3CA12CA1CA9MAOB
SCHEMBL24522923 0.86 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24523105 0.86 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24522756 0.86 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL14802497 0.86 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24237031 0.86 KCNA3 (0.97) KCNA3CA12CA1CA9MAOB
SCHEMBL24237029 0.86 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB

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