SCHEMBL16601727

SCHEMBL16601727

CC(C)(C)c1ccc2c(c1)C(=O)C=C(c1ccc(O)cc1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.59
PTPN1 P18031 2/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PLA2G1B P04054 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ESR1 P03372 8/20 0.43

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
SCHEMBL16601728 0.82 BACE1 (0.70) BACE1PTPN1NPC1RAB9AL3MBTL1
SCHEMBL28342705 0.77 BACE1 (0.66) BACE1PTPN1NPC1ALDH1A1PLA2G1B
SCHEMBL16601794 0.75 BACE1 (0.70) BACE1PTPN1MGAMGAASI
SCHEMBL31423340 0.75 BACE1 (1.00) BACE1PTPN1NPC1ALDH1A1RAB9A
SCHEMBL312389 0.75 BACE1 (1.00) BACE1PTPN1NPC1ALDH1A1RAB9A
SCHEMBL16601720 0.74 BACE1 (0.59) BACE1PTPN1CASP3MGAMGAA
SCHEMBL3413285 0.73 ALDH1A1 (0.58) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL16656174 0.73 ALDH1A1 (0.58) PTPN1NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL16601785 0.73 BACE1 (0.57) BACE1PTPN1ALDH1A1MGAMGAA
SCHEMBL7930867 0.70 ALDH1A1 (0.80) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed