SCHEMBL24522845

SCHEMBL24522845

C=C(C)C(=O)OCCCCCCCCCCCOc1cc(=O)oc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.60
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
CYP19A1 P11511 1/20 0.49
ALOX15 P16050 2/20 0.48
MAOB P27338 1/20 0.48
PTGS2 P35354 1/20 0.46
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL24522736 1.00 KCNA3 (0.60) KCNA3CA12CA1CA9CYP19A1
SCHEMBL24522680 1.00 KCNA3 (0.60) KCNA3CA12CA1CA9CYP19A1
SCHEMBL29716512 1.00 KCNA3 (0.60) KCNA3CA12CA1CA9CYP19A1
SCHEMBL24522810 0.96 KCNA3 (0.58) KCNA3CA12CA1CA9CYP19A1
SCHEMBL29716398 0.96 KCNA3 (0.58) KCNA3CA12CA1CA9CYP19A1
SCHEMBL24522762 0.90 KCNA3 (0.53) KCNA3CA12CA1CA9CYP19A1
SCHEMBL24531617 0.85 HDAC1 (0.47) KCNA3CYP19A1MAOBPOLBAPEX1
SCHEMBL24531618 0.85 POLB (0.43) KCNA3MAOBPOLBAPEX1HTT
SCHEMBL24531623 0.85 POLB (0.43) KCNA3CA12CA1CA9CYP19A1
SCHEMBL24522664 0.84 HDAC1 (0.55) KCNA3CA12CA1CA9CYP19A1

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