SCHEMBL21829178

SCHEMBL21829178

CC=C(O)C(=O)OCCCOc1c(C)cc(C2(c3cc(C)c(OCCCOC(=O)C(O)=CC)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PDK2 Q15119 11/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 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
SCHEMBL21829151 0.87 ESR1 (0.44) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2397387 0.85 ESR1 (0.41) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL22493990 0.84 MEN1 (0.41) PDK2MEN1KMT2APOLB
SCHEMBL2399656 0.82 ESR1 (0.40) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL16592777 0.80 ESR1 (0.42) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL383176 0.78 ESR1 (0.50) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL30366441 0.78 ESR1 (0.50) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2230807 0.77 THRB (0.48) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL16551559 0.77 THRB (0.48) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL382461 0.77 ESR1 (0.49) ESR1ESR2PDK2MEN1KMT2A

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