Pyrene

Pyrene

SCHEMBL8979329

CCCCCCCS(=O)(=O)O.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
EPHX2 P34913 1/20 0.42
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.38
FAAH O00519 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
Benzene SCHEMBL112147 0.81 EPHX2 (0.51) S1PR2S1PR1S1PR3EPHX2ALDH1A1
Benzene SCHEMBL27649746 0.81 EPHX2 (0.51) S1PR2S1PR1S1PR3EPHX2ALDH1A1
Benzene SCHEMBL28758814 0.81 EPHX2 (0.51) S1PR2S1PR1S1PR3EPHX2ALDH1A1
Benzene SCHEMBL11150225 0.81 EPHX2 (0.51) S1PR2S1PR1S1PR3EPHX2ALDH1A1
Benzene SCHEMBL27649739 0.81 EPHX2 (0.51) S1PR2S1PR1S1PR3EPHX2ALDH1A1
Pyrene SCHEMBL28128984 0.81 ALDH1A1 (0.58) ALDH1A1MEN1LMNAMAPK1KMT2A
Pyrene SCHEMBL8821795 0.81 ALDH1A1 (0.58) ALDH1A1MEN1LMNAMAPK1KMT2A
Naphthalene SCHEMBL8651713 0.80 TSHR (0.44) S1PR2S1PR1S1PR3ALDH1A1MEN1
Pyrogallol SCHEMBL2882287 0.79 ALDH1A1 (0.47) S1PR2S1PR1S1PR3EPHX2ALDH1A1
SCHEMBL304724 0.79 FAAH (0.56) EPHX2FAAHTSHR

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-0710225-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN Biotechnik GmbH (DE) 1996-05-08 EP disclosed
WO-1995032181-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN BIOTECHNIK GMBH (DE) 1995-11-30 WO disclosed