SCHEMBL8029026

SCHEMBL8029026

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
CCR2 P41597 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
F2 P00734 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8049722 1.00 PKM (0.38) PKMKMT2AHTTMEN1GAA
SCHEMBL8527627 0.96 MAPT (0.40) PKMKMT2AHTTGAAMAPT
SCHEMBL8049042 0.96 MAPT (0.40) PKMKMT2AHTTGAAMAPT
SCHEMBL9763551 0.96 PKM (0.40) PKMKMT2AHTTMEN1GAA
SCHEMBL13513028 0.96 PKM (0.40) PKMKMT2AHTTMEN1GAA
SCHEMBL9764005 0.95 KMT2A (0.41) PKMKMT2AHTTMEN1GAA
SCHEMBL9764339 0.95 PKM (0.40) PKMKMT2AHTTMEN1GAA
SCHEMBL9763540 0.95 KMT2A (0.41) PKMKMT2AHTTMEN1GAA
SCHEMBL9763533 0.95 KMT2A (0.41) PKMKMT2AHTTMEN1GAA
SCHEMBL9763957 0.95 KMT2A (0.41) PKMKMT2AHTTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0704512-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-03-08 EP disclosed
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed
EP-0704512-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-04-03 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed