SCHEMBL17622320

SCHEMBL17622320

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c1C(=O)N(c1ccccc1N1C(=O)c3c(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3C1=O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.41
▸ RORA P35398 2/20 0.41
▸ RORC P51449 2/20 0.41
▸ RORB Q92753 2/20 0.41
▸ DNMT1 P26358 3/20 0.39
▸ NR1H3 Q13133 3/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL19421869 0.86 NR1H3 (0.44) PGRRORARORCRORBDNMT1
SCHEMBL17622319 0.84 ALDH1A1 (0.47) NR1H2BCHECES1ALDH1A1CASP3
SCHEMBL19421872 0.84 PGR (0.35) PGRRORARORCRORBDNMT1
SCHEMBL17622295 0.83 CA9 (0.44) PGRRORARORCRORBDNMT1
SCHEMBL19842376 0.83 NR1H2 (0.43) PGRRORARORCRORBDNMT1
SCHEMBL16231003 0.83 KIF11 (0.46) PGRRORARORCRORBDNMT1
SCHEMBL19421873 0.83 PGR (0.37) PGRRORARORCRORBDNMT1
SCHEMBL19421875 0.82 RORA (0.38) PGRRORARORCRORBDNMT1
SCHEMBL17622209 0.81 TP53 (0.42) PGRRORARORCRORBDNMT1
SCHEMBL17622302 0.80 CA9 (0.41) PGRRORARORCRORBDNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246373-A1 ORGANIC MOLECULES FOR USE AS EMITTERS cynora GmbH (DE) 2017-11-22 — — EP disclosed
US-20170288149-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2017-10-05 — — US disclosed
US-20170288149-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2017-10-05 — — US disclosed
WO-2016042070-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2016-03-24 — — WO disclosed
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