SCHEMBL18533259

SCHEMBL18533259

C=COC(=O)Oc1ccc2c(=O)c3ccccc3sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 8/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KMT2A Q03164 3/20 0.37
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 3/20 0.36
HCRTR1 O43613 2/20 0.36

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
SCHEMBL16561494 0.93 ALDH1A1 (0.36) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL16561555 0.93 MAPT (0.41) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL3791223 0.92 MAPT (0.57) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL16561556 0.86 MAPT (0.35) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL31120514 0.85 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL3790672 0.85 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL10600228 0.81 MAPT (0.54) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL27660054 0.80 MAPT (0.56) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL16561558 0.79 PRKDC (0.35) ALDH1A1RAB9ANPC1KDM4EKMT2A
SCHEMBL85778 0.77 MAPT (0.61) ALDH1A1MAPTRAB9ANPC1KDM4E

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-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed