SCHEMBL19853866

SCHEMBL19853866

CCCCCC1CCC(C2CCC(CCC(=O)OCC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 2/20 0.40
DGKA P23743 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
NAAA Q02083 2/20 0.37

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
SCHEMBL10793779 0.95 ALDH1A1 (0.50) ALDH1A1TDP1USP2ALOX15PKM
SCHEMBL10793775 0.95 ALDH1A1 (0.50) ALDH1A1TDP1USP2ALOX15PKM
SCHEMBL10073831 0.90 ALDH1A1 (0.46) ALDH1A1TDP1USP2ALOX15MAPT
SCHEMBL3476775 0.89 ALDH1A1 (0.43) ALDH1A1TDP1USP2ALOX15MAPT
SCHEMBL4569186 0.88 MAPT (0.43) ALDH1A1TDP1USP2ALOX15MAPT
SCHEMBL7527425 0.88 PKM (0.40) ALDH1A1TDP1USP2ALOX15PKM
SCHEMBL18623243 0.85 ALDH1A1 (0.50) ALDH1A1TDP1USP2ALOX15MAPT
SCHEMBL10847189 0.84 PKM (0.47) ALDH1A1PKMMAPTMEN1HTT
SCHEMBL10847193 0.84 PKM (0.47) ALDH1A1PKMMAPTMEN1HTT
SCHEMBL10845929 0.83 MEN1 (0.48) ALDH1A1PKMMAPTMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 US disclosed
EP-3466918-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2019-04-10 EP disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 WO disclosed