SCHEMBL9182247

SCHEMBL9182247

CCCCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(OCCCCCCCC)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.74
LMNA P02545 3/20 0.74
NFKB1 P19838 3/20 0.74
NFKB2 Q00653 3/20 0.74
RELA Q04206 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
RARB P10826 4/20 0.73
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.64
PLA2G4B P0C869 4/20 0.63
PRSS1 P07477 1/20 0.63
ACR P10323 1/20 0.63
KMT2A Q03164 2/20 0.62

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
SCHEMBL9471276 1.00 NPC1 (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9457316 1.00 NPC1 (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9476073 1.00 NPC1 (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9478118 1.00 NPC1 (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8376750 1.00 NPC1 (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5355713 1.00 NPC1 (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9477456 1.00 NPC1 (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL30477070 0.97 NPC1 (0.71) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12732828 0.95 NPC1 (0.81) NPC1LMNANFKB1NFKB2RELA
SCHEMBL2449749 0.95 NPC1 (0.81) NPC1LMNANFKB1NFKB2RELA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315996-B1 Optically active compound, process for producing same and liquid crystal composition containing same CANON KK (JP) 1995-06-28 EP disclosed
EP-0347944-B1 Ferroelectric chiral smectic liquid crystal composition and liquid crystal device using same CANON KK (JP) 1995-02-01 EP disclosed
EP-0237007-B1 Fluoroalkane derivative and liquid crystal composition CANON KK (JP) 1994-03-02 EP disclosed
EP-0267585-B1 FLUOROALKANE DERIVATIVE, ITS COMPOSITION AND LIQUID CRYSTAL DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 1993-09-15 EP disclosed
US-5075031-A Prevent reverse domain CANON KABUSHIKI KAISHA (JP) 1991-12-24 US disclosed
US-4917817-A Optical active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1990-04-17 US disclosed
EP-0301511-A1 Optically active compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-02-01 EP disclosed
EP-0300497-A1 Optically active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-01-25 EP disclosed
EP-0267585-A2 Fluoroalkane derivative, its composition and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1988-05-18 EP disclosed
EP-0255962-A2 Optically active mesomorphic compound CANON KABUSHIKI KAISHA (JP) 1988-02-17 EP disclosed
EP-0237007-A2 Fluoroalkane derivative and liquid crystal composition CANON KABUSHIKI KAISHA (JP) 1987-09-16 EP disclosed