SCHEMBL28837409

SCHEMBL28837409

CCOC(=O)c1ccc2sc3ccccc3c(=O)c2c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6428499 0.86 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9456116 0.86 TSHR (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30254707 0.86 TSHR (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28728257 0.85 MAPT (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29162696 0.84 TSHR (0.46) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL9681229 0.82 MAPT (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2773653 0.81 TUBB4A (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29278293 0.80 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28837371 0.79 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8663885 0.79 MAPT (0.44) MAPTNPC1CYP1A2CYP3A4CYP2C9

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
CN-114728520-A Active energy ray-curable ink and image recording method 富士胶片株式会社 2022-07-08 CN disclosed
CN-114667324-A Active energy ray-curable ink, ink set, and image recording method 富士胶片株式会社 2022-06-24 CN disclosed