SCHEMBL12177698

SCHEMBL12177698

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccc4c(c3)C(=O)c3cc(-c5cc(C(C)(C)C)cc6c5-c5ccc(C(C)(C)C)cc5C6(C)C)ccc3C4(C)C)c1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ CA9 Q16790 5/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA12 O43570 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 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
SCHEMBL12177736 0.85 NPC1 (0.47) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL10045642 0.82 L3MBTL1 (0.47) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL19928430 0.81 NPC1 (0.33) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL14702103 0.80 ALDH1A1 (0.42) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL12177748 0.80 ALDH1A1 (0.42) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17358856 0.78 PDK2 (0.33) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL16158473 0.78 PDK2 (0.33) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL16154625 0.77 NPC1 (0.31) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL25725713 0.76 ALDH1A1 (0.43) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17358862 0.76 PGR (0.33) NPC1CASP3RAB9ASENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130037790-A1 NOVEL 10,10-DIALKYLANTHRONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 — — US disclosed
US-20130037790-A1 NOVEL 10,10-DIALKYLANTHRONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 — — US disclosed
WO-2011136059-A1 NOVEL 10,10-DIALKYLANTHRONE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-11-03 — — WO disclosed
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