SCHEMBL21829176

SCHEMBL21829176

C=C(C)C(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C(=C)C)c4ccccc34)CCc3ccccc32)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.32
POLB P06746 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AVPR1A P37288 1/20 0.32
THRB P10828 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 3/20 0.31

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
SCHEMBL21829145 0.83 POLB (0.34) POLBAPEX1HTTTDP1THRB
SCHEMBL21829202 0.82 POLB (0.37) PIN1POLBHSD17B10APEX1HTT
SCHEMBL21829148 0.80 HTT (0.44) POLBAPEX1HTTTDP1THRB
SCHEMBL21829156 0.78 CA1 (0.34) PIN1POLBHSD17B10APEX1HTT
SCHEMBL15347409 0.76 HPGDS (0.44) POLBHSD17B10APEX1HTTTDP1
SCHEMBL10871016 0.75 THRB (0.46) POLBAPEX1HTTTDP1THRB
SCHEMBL14001882 0.75 THRB (0.41) POLBAPEX1HTTTDP1THRB
SCHEMBL10064078 0.75 IDO1 (0.55) POLBAPEX1HTTTDP1THRB
SCHEMBL29028150 0.73 CHRNA7 (0.31) PIN1HCAR2
SCHEMBL21829166 0.72 ALDH1A1 (0.33) POLBHSD17B10TDP1KDM4EALDH1A1

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-11561470-B2 Negative photosensitive resin composition, cured film, element provided with cured film, organic EL display provided with cured film, and method for producing same TORAY INDUSTRIES, INC. (JP) 2023-01-24 US disclosed
US-20200110337-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT PROVIDED WITH CURED FILM, ORGANIC EL DISPLAY PROVIDED WITH CURED FILM, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2020-04-09 US disclosed