SCHEMBL25829526

SCHEMBL25829526

CCOC(=O)C(CCc1ccc2c(=O)c3ccccc3sc2c1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL24653182 0.81 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18243738 0.78 MAPT (0.48) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL24652982 0.78 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25829540 0.77 KDM4E (0.36) ALDH1A1TDP1L3MBTL1MAPTKDM4E
Ethyl Acetate SCHEMBL1706269 0.77 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19253753 0.76 LMNA (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18242408 0.76 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL11173004 0.76 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2309971 0.76 KDM4E (0.47) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL10989791 0.75 ALDH1A1 (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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-2023126223-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-06 WO disclosed
EP-4206183-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-05 EP disclosed