SCHEMBL9417019

SCHEMBL9417019

CCCCCCCC(F)COc1ccc(C(=O)Oc2ccc(C3CCC(CCCCCCC)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.38
PLA2G4B P0C869 1/20 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
SCHEMBL8021886 0.89 RAB9A (0.39) LMNACYP2C9MAPTALDH1A1RAB9A
SCHEMBL11423075 0.88 LMNA (0.55) LMNANPC1NFKB1NFKB2RELA
SCHEMBL11403789 0.88 LMNA (0.55) LMNANPC1NFKB1NFKB2RELA
SCHEMBL11405979 0.88 LMNA (0.55) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9711900 0.87 CYP2C9 (0.45) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9711909 0.87 CYP2C9 (0.45) LMNANPC1NFKB1NFKB2RELA
SCHEMBL12768626 0.87 LMNA (0.57) LMNANPC1NFKB1NFKB2RELA
SCHEMBL11411848 0.87 LMNA (0.48) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9189118 0.87 LMNA (0.57) LMNANPC1NFKB1NFKB2RELA
SCHEMBL12768386 0.87 LMNA (0.57) LMNANPC1NFKB1NFKB2RELA

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
EP-0267585-B1 FLUOROALKANE DERIVATIVE, ITS COMPOSITION AND LIQUID CRYSTAL DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 1993-09-15 EP claimed
EP-0267585-A2 Fluoroalkane derivative, its composition and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1988-05-18 EP claimed
US-5328639-A Ether esters or thioesters CANON KABUSHIKI KAISHA (JP) 1994-07-12 US disclosed
EP-0267585-B1 FLUOROALKANE DERIVATIVE, ITS COMPOSITION AND LIQUID CRYSTAL DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 1993-09-15 EP disclosed
EP-0267585-A2 Fluoroalkane derivative, its composition and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1988-05-18 EP disclosed