SCHEMBL24522688

SCHEMBL24522688

C=CC(=O)OCCCCCOc1cc(=O)oc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.62
▸ CA12 O43570 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ MAOB P27338 1/20 0.49
▸ CYP19A1 P11511 1/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL24522988 1.00 KCNA3 (0.62) KCNA3CA12CA1CA9MAOB
SCHEMBL24522650 1.00 KCNA3 (0.62) KCNA3CA12CA1CA9MAOB
SCHEMBL24522975 1.00 KCNA3 (0.62) KCNA3CA12CA1CA9MAOB
SCHEMBL24522809 0.87 CA12 (0.56) KCNA3CA12CA1CA9MAOB
SCHEMBL24522718 0.86 CA12 (0.55) KCNA3CA12CA1CA9MAOB
SCHEMBL24522689 0.86 CA12 (0.50) KCNA3CA12CA1CA9MAOB
SCHEMBL24522723 0.85 CA12 (0.54) KCNA3CA12CA1CA9MAOB
SCHEMBL24522860 0.85 KCNA3 (0.44) KCNA3CA12CA1CA9ALDH1A1
SCHEMBL29716512 0.82 KCNA3 (0.60) KCNA3CA12CA1CA9MAOB
SCHEMBL24522727 0.82 KCNA3 (0.63) 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
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