SCHEMBL7855165

SCHEMBL7855165

COc1c(C(C)=O)ccc(OCc2ccccc2)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
MAPK1 P28482 1/20 0.51
MAOB P27338 2/20 0.51
PTPN1 P18031 1/20 0.51
PTGER1 P34995 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL28709109 0.88 MAPT (0.69) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL19267889 0.86 SMN1; SMN2 (0.67) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL30100050 0.85 SMN1; SMN2 (0.58) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL24864036 0.85 SMN1; SMN2 (0.58) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL6452345 0.84 PDE4D (0.61) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL24162509 0.84 SMN1; SMN2 (0.57) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL701961 0.83 MAPT (1.00) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL29633530 0.83 MAPT (1.00) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL26021326 0.82 MAPT (0.65) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9
SCHEMBL5467535 0.82 PTGER1 (0.58) MAPTTDP1L3MBTL1SMN1; SMN2CYP2C9

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-2021085321-A1 RESIN COMPOSITION, RESIN SHEET, CURED FILM, METHOD FOR MANUFACTURING CURED FILM, SEMICONDUCTOR DEVICE, ORGANIC EL DISPLAY DEVICE, AND DISPLAY DEVICE 東レ株式会社 2021-05-06 WO disclosed
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 US disclosed