SCHEMBL21524842

SCHEMBL21524842

CC(C)(c1ccc(O)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cc(-n3c(-c5ccccc5)nc5ccccc53)cc(-n3c(-c5ccccc5)nc5ccccc53)c2)C4=O)c1)c1ccc(O)c(N2C(=O)c3cc4c(cc3C2O)C(=O)N(c2c(-n3c5ccccc5c5ccccc53)cc(-n3c5ccccc5c5ccccc53)cc2-n2c3ccccc3c3ccccc32)C4=O)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 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
SCHEMBL21524804 0.88 POLB (0.40) POLBESR1ESR2
SCHEMBL22416325 0.86 POLB (0.36) POLBESR1ESR2
SCHEMBL22416323 0.84 ESR1 (0.43) POLBESR1ESR2
SCHEMBL22416329 0.78 — —
SCHEMBL21524805 0.77 ESR1 (0.38) POLBESR1ESR2
SCHEMBL21524841 0.77 ESR1 (0.36) POLBESR1ESR2
SCHEMBL21524754 0.77 — —
SCHEMBL21524848 0.75 HSP90AA1 (0.33) POLBESR1ESR2
SCHEMBL22416195 0.75 PDE6D (0.31) —
SCHEMBL22416321 0.75 PDE6D (0.35) POLBESR1ESR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10461269-B2 Crosslinkable, /polymerizable and combinations thereof charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications and method of making same MOLECULAR GLASSES, INC. (US) 2019-10-29 — — US disclosed
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