SCHEMBL21829202

SCHEMBL21829202

C=C(C)C(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C(=C)C)c(C)c3)CCc3ccccc32)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PIN1 Q13526 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32

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
SCHEMBL21829156 0.89 CA1 (0.34) POLBHSD17B10HTTMAPTTDP1
SCHEMBL21829148 0.84 HTT (0.44) POLBHTTLMNAMAPTTDP1
SCHEMBL21829165 0.82 PPARA (0.37) POLBHSD17B10HTTLMNAMAPT
SCHEMBL21829158 0.82 CA1 (0.37) POLBHTTLMNAMAPTTDP1
SCHEMBL21829176 0.82 PIN1 (0.32) POLBHSD17B10HTTTDP1NPSR1
SCHEMBL2231834 0.80 ESR1 (0.46) POLBHTTLMNAMAPTTDP1
SCHEMBL15356209 0.76 ESR1 (0.42) POLBHTTMAPTTDP1SMN1; SMN2
SCHEMBL21829164 0.76 ALDH1A1 (0.40) POLBHSD17B10HTTLMNAMAPT
SCHEMBL2234170 0.75 ESR1 (0.45) POLBHTTLMNAMAPTTDP1
SCHEMBL29028186 0.74 POLB (0.34) POLBHSD17B10HTTLMNAMAPT

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