SCHEMBL8552877

SCHEMBL8552877

CCCCCCCCCCOc1ccc(-c2ccc3c(c2)CC(CCCCCC)C3)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTPN11 Q06124 3/20 0.38
CYP2D6 P10635 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL8553157 0.86 RAB9A (0.42) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8552026 0.84 RAB9A (0.43) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8553264 0.84 CYP3A4 (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8556271 0.84 NPC1 (0.47) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8553224 0.83 NPC1 (0.45) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8553142 0.83 RAB9A (0.55) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL8552673 0.81 CYP3A4 (0.40) MAPTCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL8556156 0.81 CYP3A4 (0.40) MAPTCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL8552658 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8554697 0.79 NPC1 (0.40) MAPTRAB9ACYP19A1GRIA2

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