SCHEMBL8053779

SCHEMBL8053779

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(O)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
MAPT P10636 3/20 0.45
STAT3 P40763 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
HTT P42858 1/20 0.38
NR5A1 Q13285 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL8053784 1.00 RAB9A (0.45) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8048386 0.99 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8048390 0.99 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8051067 0.95 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8051072 0.95 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8052372 0.95 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8052377 0.95 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8049243 0.95 RAB9A (0.41) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8049237 0.95 RAB9A (0.41) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8046488 0.94 RAB9A (0.41) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed