SCHEMBL28901490

SCHEMBL28901490

CC(=O)Oc1ccccc1Oc1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TDP1 Q9NUW8 4/20 0.40
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BLM P54132 2/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL914221 0.92 MAPT (0.52) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL8091142 0.86 MAPT (0.56) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL28546658 0.81 NPC1 (0.50) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL8096279 0.80 MAPT (0.51) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL7098554 0.79 MAPT (0.50) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL10788212 0.78 NPC1 (0.53) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL3416670 0.78 NPC1 (0.49) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL10934171 0.78 NPC1 (0.49) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL28165639 0.78 MAPT (0.49) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL30998123 0.78 ALDH1A1 (0.47) MAPTNPC1RAB9AHPGDCYP1A2

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
CN-115279847-A Active energy ray-curable ink and image recording method 富士胶片株式会社 2022-11-01 CN disclosed