SCHEMBL8553142

SCHEMBL8553142

CCCCCCCCCCc1ccc(-c2ccc3c(c2)CC(CCCCCC)C3)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.55
SMN1; SMN2 Q16637 10/20 0.55
NPC1 O15118 9/20 0.55
MAPT P10636 4/20 0.55
STAT3 P40763 1/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 3/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL8552162 0.86 RARB (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7118001 0.86 RARB (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8552427 0.86 RARB (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8556271 0.85 NPC1 (0.47) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8553264 0.85 CYP3A4 (0.38) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8553176 0.84 CYP3A4 (0.46) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7065554 0.84 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8557226 0.83 MAPT (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8552877 0.83 KDM4E (0.48) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8552673 0.82 CYP3A4 (0.40) MAPTCYP3A4CYP2C8S1PR3CYP2D6

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed