SCHEMBL24523066

SCHEMBL24523066

CCC(=O)Oc1cc(=O)oc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
KDM4E B2RXH2 2/20 0.56
PTGS2 P35354 5/20 0.54
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNA3 P22001 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.50
PAX8 Q06710 1/20 0.50

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
SCHEMBL21043909 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL12216153 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL24523050 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL24523109 0.82 KMT2A (0.51) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL10064130 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL21194996 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TP53TSHR
SCHEMBL24522849 0.80 KCNA3 (0.67) CA12CA1CA9KCNA3ALOX15
SCHEMBL24522731 0.80 KCNA3 (0.67) CA12CA1CA9KCNA3ALOX15
SCHEMBL24522735 0.80 KDM4E (0.63) ALDH1A1KMT2ATP53KDM4ECA12
SCHEMBL18826397 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TP53TSHR

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