SCHEMBL22493949

SCHEMBL22493949

OC(COCC1CO1)COc1ccc(C2(c3ccc(OCC(O)COCC4CO4)cc3)CCc3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
PRMT5 O14744 7/20 0.36
WDR77 Q9BQA1 7/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPY1R P25929 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HPGD P15428 1/20 0.33
CHRNA7 P36544 2/20 0.33

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
SCHEMBL12009499 0.94 TDP1 (0.44) TDP1PRMT5WDR77CYP1A2CYP3A4
SCHEMBL12009498 0.88 TDP1 (0.43) TDP1PRMT5WDR77CYP1A2CYP3A4
SCHEMBL12009495 0.88 TDP1 (0.42) TDP1PRMT5WDR77CYP1A2CYP3A4
SCHEMBL22493983 0.85 ALDH1A1 (0.36) PRMT5WDR77CYP1A2CYP3A4CYP2D6
SCHEMBL22493967 0.85 PRMT5 (0.35) PRMT5WDR77CYP1A2CYP3A4CYP2D6
SCHEMBL15750168 0.84 TDP1 (0.53) TDP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL29611304 0.84 TDP1 (0.53) TDP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL21829152 0.84 TDP1 (0.40) TDP1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22493954 0.83 TDP1 (0.40) TDP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL22493939 0.81 TDP1 (0.40) TDP1PRMT5WDR77CYP1A2CYP3A4

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
US-20200319549-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT HAVING CURED FILM, ORGANIC EL DISPLAY, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY TORAY INDUSTRIES, INC. (JP) 2020-10-08 US disclosed
CN-111164512-A Photosensitive resin composition, cured film, element provided with cured film, organic EL display, and method for manufacturing organic EL display 东丽株式会社 2020-05-15 CN disclosed