SCHEMBL8527627

SCHEMBL8527627

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
F2 P00734 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8049042 1.00 MAPT (0.40) MAPTGAAPOLBHPGDKMT2A
SCHEMBL8029026 0.96 PKM (0.38) MAPTGAAPOLBHPGDKMT2A
SCHEMBL8049722 0.96 PKM (0.38) MAPTGAAPOLBHPGDKMT2A
SCHEMBL8030907 0.96 MAPT (0.42) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9763935 0.95 MAPT (0.41) MAPTGAAPOLBHPGDKMT2A
SCHEMBL7521465 0.93 HTT (0.36) MAPTGAAPOLBKMT2AHTT
SCHEMBL9763551 0.93 PKM (0.40) MAPTGAAPOLBHPGDKMT2A
SCHEMBL8078011 0.93 HTT (0.36) MAPTGAAPOLBKMT2AHTT
SCHEMBL8078007 0.93 HTT (0.36) MAPTGAAPOLBKMT2AHTT
SCHEMBL6748513 0.93 HTT (0.36) MAPTGAAPOLBKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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