SCHEMBL16656174

SCHEMBL16656174

CC1=CC(=O)c2cc(C(C)(C)C)ccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
PLA2G1B P04054 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
MAPK1 P28482 4/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ATM Q13315 3/20 0.53
MEN1 O00255 3/20 0.53

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
SCHEMBL3413285 0.82 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL13433263 0.78 NPC1 (0.88) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL22871158 0.78 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL29926163 0.78 ALDH1A1 (0.80) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL7930867 0.78 ALDH1A1 (0.80) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL31472800 0.78 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL5724160 0.78 NPC1 (0.88) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL5820386 0.77 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL31437680 0.75 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL3420308 0.75 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACASP3SENP8

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 2 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