SCHEMBL21087972

SCHEMBL21087972

C=C(CO)C(=O)OCC(CCC1CCC(CCCCC)CC1)COC(=O)C(=C)COC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21088105 0.99 MAPT (0.33) MAPTTP53PKMMEN1HTT
SCHEMBL21087925 0.97 MAPT (0.32) MAPTTP53PKM
SCHEMBL21087892 0.97 MAPT (0.32) MAPTTP53PKM
SCHEMBL21088005 0.96 MAPT (0.31) MAPTTP53
SCHEMBL21087898 0.96 TP53 (0.32) MAPTTP53MEN1HTTKMT2A
SCHEMBL21087963 0.96 MAPT (0.36) MAPTTP53PKMMEN1HTT
SCHEMBL21088107 0.95 MAPT (0.31) MAPT
SCHEMBL20882412 0.93 MAPT (0.37) MAPTTP53PKMMEN1HTT
SCHEMBL21087971 0.93
SCHEMBL21087901 0.93 MAPT (0.32) MAPTTP53PKM

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-3495450-B1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-08-05 EP disclosed
EP-3495450-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2019-06-12 EP disclosed