SCHEMBL13467893

SCHEMBL13467893

CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2C2(c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cc3c(cc21)oc1ccccc13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.41
PGR P06401 1/20 0.36
HPGD P15428 3/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL13467866 0.97 AHR (0.39) AHRPGRHPGDMAOAMAPT
SCHEMBL13467870 0.91 ALDH1A1 (0.36) AHRMAPTALDH1A1NPC1RAB9A
SCHEMBL13467923 0.83 AHR (0.44) AHRPGRHPGDMAOAMAPT
SCHEMBL13467921 0.82 AHR (0.51) AHRPGRHPGDMAOAMAPT
SCHEMBL18731701 0.79 AHR (0.51) AHRPGRHPGDMAOAMAPT
SCHEMBL23184202 0.79 AHR (0.45) AHRPGRHPGDMAOAMAPT
SCHEMBL23184663 0.79 AHR (0.45) AHRPGRHPGDMAOAMAPT
SCHEMBL22930604 0.78 AHR (0.50) AHRPGRHPGDMAOAMAPT
SCHEMBL16491690 0.77 AHR (0.53) AHRPGRHPGDMAOAMAPT
SCHEMBL19773711 0.77 ALDH1A1 (0.50) HPGDMAPTMEN1KMT2AALDH1A1

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-20140027757-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-20140027757-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
WO-2012141229-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-10-18 WO disclosed