Pyrene

Pyrene

SCHEMBL14645754

O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP1B1 Q16678 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
PDE4A P27815 1/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30

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
Pyrene SCHEMBL28202974 1.00 L3MBTL1 (0.37) L3MBTL1LMNAALDH1A1CYP1A2HPGD
Demannose SCHEMBL27878620 0.88 L3MBTL1 (0.41) L3MBTL1LMNACYP1A2TDP1KMT2A
Anthracene SCHEMBL27775840 0.85 L3MBTL1 (0.38) L3MBTL1LMNAALDH1A1CYP1A2HSD17B10
Demannose SCHEMBL27784462 0.82 LMNA (0.50) L3MBTL1LMNATDP1GAAPDE4A
Demannose SCHEMBL18422193 0.82 LMNA (0.55) L3MBTL1LMNATDP1GAAPDE4A
Galactose SCHEMBL18423375 0.82 LMNA (0.55) L3MBTL1LMNATDP1GAAPDE4A
Demannose SCHEMBL18423795 0.82 LMNA (0.55) L3MBTL1LMNATDP1GAAPDE4A
Demannose SCHEMBL28198426 0.80 LMNA (0.48) L3MBTL1LMNATDP1PDE4AUSP2
Demannose SCHEMBL6529193 0.80 LMNA (0.58) L3MBTL1LMNATDP1PDE4AUSP2
Demannose SCHEMBL525084 0.80 LMNA (0.58) L3MBTL1LMNATDP1PDE4AUSP2

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-2732277-A1 NON COVALENT MOLECULAR STRUCTURE, COMPRISING A PYRENE BASED GLYCOCONJUGATE, DEVICE COMPRISING THE SAME AND ITS USE FOR DETECTION OF LECTIN Centre National de la Recherche Scientifique (CNRS) (FR) 2014-05-21 EP disclosed
WO-2013008062-A1 NON COVALENT MOLECULAR STRUCTURE, COMPRISING A PYRENE BASED GLYCOCONJUGATE, DEVICE COMPRISING THE SAME AND ITS USE FOR DETECTION OF LECTIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-01-17 WO disclosed