SCHEMBL21088089

SCHEMBL21088089

C=C(CC)C(=O)OCC(CCC1CCC(C2CCC(CCCCC)CC2)CC1)COC(=O)C(=C)COC

nearest known ligand 0.33

Predicted protein targets (top 10)

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

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
SCHEMBL21087892 0.93 MAPT (0.32) TP53PKMMAPT
SCHEMBL21087925 0.93 MAPT (0.32) TP53PKMMAPT
SCHEMBL21088005 0.92 MAPT (0.31) TP53MAPT
SCHEMBL21087898 0.92 TP53 (0.32) TP53MEN1HTTKMT2AMAPT
SCHEMBL21087911 0.92 MAPT (0.32) TP53PKMMEN1HTTKMT2A
SCHEMBL21087897 0.91 MAPT (0.33) MAPT
SCHEMBL21088093 0.91 MAPT (0.35) TP53MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL21088084 0.90 MAPT (0.30) MAPT
SCHEMBL21087972 0.89 MAPT (0.33) TP53PKMMEN1HTTKMT2A
SCHEMBL21087901 0.88 MAPT (0.32) TP53PKMMAPT

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