SCHEMBL21943770

SCHEMBL21943770

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2cc(-c3ccc(C(C)(C)C)c4ccccc34)c(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)cc2-c2ccc(C(C)(C)C)c3ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 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
SCHEMBL21944026 0.88 PGR (0.35) PGRRORARORCRORBKIF11
SCHEMBL21943772 0.83 OPRD1 (0.38) PGRRORARORCRORBKIF11
SCHEMBL21943771 0.82 OPRD1 (0.37) PGRRORARORCRORBKIF11
SCHEMBL8282702 0.81 KDM4E (0.46) PGRRORARORCRORBKIF11
SCHEMBL8739898 0.81 KDM4E (0.46) PGRRORARORCRORBKIF11
SCHEMBL8739892 0.81 KDM4E (0.46) PGRRORARORCRORBKIF11
SCHEMBL8739889 0.80 KIF11 (0.42) PGRRORARORCRORBKIF11
SCHEMBL10090552 0.78 KDM4E (0.43) PGRRORARORCRORBKIF11
SCHEMBL12454691 0.78 KDM4E (0.43) PGRRORARORCRORBKIF11
SCHEMBL25708777 0.78 ATM (0.47) PGRRORARORCRORBKIF11

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-20230145492-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KK (JP) 2023-05-11 — — US disclosed
US-20200119281-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KABUSHIKI KAISHA (JP) 2020-04-16 — — US disclosed
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