SCHEMBL24523050

SCHEMBL24523050

CC(C)C(=O)Oc1cc(=O)oc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
PTGS2 P35354 8/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
KCNA3 P22001 1/20 0.48
NQO1 P15559 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL12216153 0.86 ALDH1A1 (0.54) ALDH1A1TP53MEN1TSHRKMT2A
SCHEMBL24523066 0.82 ALDH1A1 (0.59) ALDH1A1TP53MEN1TSHRKMT2A
SCHEMBL24522811 0.81 KCNA3 (0.61) PTGS2CA12CA1CA9KCNA3
SCHEMBL24522743 0.80 KCNA3 (0.63) PTGS2CA12CA1CA9KCNA3
SCHEMBL24522727 0.80 KCNA3 (0.63) PTGS2CA12CA1CA9KCNA3
SCHEMBL74955 0.79 ALDH1A1 (0.59) ALDH1A1TP53MEN1TSHRKMT2A
SCHEMBL18826397 0.79 ALDH1A1 (0.59) ALDH1A1TP53MEN1TSHRKMT2A
SCHEMBL24523108 0.79 KCNA3 (0.55) PTGS2CA12CA1CA9KCNA3
SCHEMBL15843118 0.78 PTGS2 (0.59) ALDH1A1TP53MEN1TSHRKMT2A
SCHEMBL29468148 0.78 KMT2A (0.68) ALDH1A1TP53MEN1TSHRKMT2A

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