SCHEMBL24522756

SCHEMBL24522756

COCCCCCOc1cc(=O)oc2ccccc12

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
HDAC1 Q13547 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
SCHEMBL24522923 1.00 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24523000 0.96 KCNA3 (0.70) KCNA3CA12CA1CA9MAOB
SCHEMBL14802497 0.89 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24237029 0.89 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24523105 0.89 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24237028 0.87 KCNA3 (0.63) KCNA3CA12CA1CA9MAOB
SCHEMBL14329533 0.87 KCNA3 (0.74) KCNA3CA12CA1CA9MAOB
SCHEMBL24237031 0.86 KCNA3 (0.97) KCNA3CA12CA1CA9MAOB
SCHEMBL24523082 0.86 KCNA3 (0.72) KCNA3CA12CA1CA9MAOB
SCHEMBL24522855 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 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