SCHEMBL10045642

SCHEMBL10045642

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccccc3-c3ccc4c(c3)C(=O)c3cc(-c5ccccc5-c5cc(C(C)(C)C)cc6c5-c5ccc(C(C)(C)C)cc5C6(C)C)ccc3CC4)c1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP6 Q9GZR1 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL12177698 0.82 NPC1 (0.44) L3MBTL1NPC1RAB9ACASP3SENP8
SCHEMBL10045895 0.77 TDP1 (0.43) L3MBTL1ALDH1A1TDP1MAPK14MAPT
SCHEMBL27350800 0.76 ALDH1A1 (0.44) L3MBTL1NPC1RAB9ACASP3SENP8
SCHEMBL19928430 0.74 NPC1 (0.33) L3MBTL1NPC1RAB9ACASP3SENP8
SCHEMBL10045919 0.74 L3MBTL1 (0.45) L3MBTL1NPC1RAB9ATDP1MAPK14
SCHEMBL12177736 0.73 NPC1 (0.47) L3MBTL1NPC1RAB9ACASP3SENP8
SCHEMBL14925858 0.70 L3MBTL1 (0.44) L3MBTL1NPC1RAB9ACASP3SENP8
SCHEMBL16158471 0.70 NPC1 (0.38) L3MBTL1NPC1RAB9ACASP3SENP8
SCHEMBL14925859 0.70 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AALDH1A1TDP1
SCHEMBL16801955 0.70 BRD4 (0.38) L3MBTL1NPC1RAB9ATDP1MEN1

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-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130112965-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
WO-2012008558-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2012-01-19 — — WO disclosed
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