SCHEMBL8433923

SCHEMBL8433923

CCCCCCCCOc1cnc(-c2ccc(-c3ccc(OC(=O)CC(CCCCCCCC)C(F)(F)F)cc3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.45
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LTA4H P09960 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL8434200 1.00 RARB (0.45) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL8432006 0.95 RARB (0.46) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL8433914 0.95 RARB (0.46) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL8436583 0.93 RARB (0.46) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9625052 0.88 RARB (0.51) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL8435596 0.88 RARB (0.46) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8432234 0.88 KMT2A (0.43) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9624326 0.87 RARB (0.54) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8436678 0.84 RAB9A (0.50) RARBNPC1SMN1; SMN2MAPTRAB9A
SCHEMBL9357152 0.83 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5065276-A None JP disclosed
EP-0499221-B1 Optically active compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1999-12-08 EP disclosed
US-5281362-A Ferroelectric liquid crystals for optics CANON KABUSHIKI KAISHA (JP) 1994-01-25 US disclosed
JP-H0565276-A OPTICALLY ACTIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT CONTAINING THE SAME AND DISPLAYING METHOD AND DEVICE USING THE SAME CANON INC 1993-03-19 JP disclosed
EP-0499221-A1 Optically active compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1992-08-19 EP disclosed