Pyrene

Pyrene

SCHEMBL16617241

O=c1occo1.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
TSHR P16473 3/20 0.55
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
TYMS P04818 5/20 0.44
CES2 O00748 1/20 0.42
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.39
PARP1 P09874 1/20 0.38
TDP1 Q9NUW8 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
Pyrene SCHEMBL1332849 0.74 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL789286 0.74 CA1 (0.35)
Pyrene SCHEMBL1650929 0.74 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL35245 0.74
Pyrene SCHEMBL9130 0.74 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
Pyrene SCHEMBL29429699 0.74 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
Pyrene SCHEMBL223412 0.74 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
Pyrene SCHEMBL2001417 0.72 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
Pyrene SCHEMBL28333893 0.72 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
Pyrene SCHEMBL23319293 0.71 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099191-A1 Co-solvents with High Coulombic Efficiency in Propylene Carbonate Based Electrolytes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-09 US claimed
US-10581118-B2 Co-solvents with high coulombic efficiency in propylene carbonate based electrolytes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-03 US disclosed
US-20170294683-A1 New Co-solvents with High Coulombic Efficiency in Propylene Carbonate Based Electrolytes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-12 US disclosed
US-9692086-B2 Co-solvents with high coulombic efficiency in propylene carbonate based electrolytes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-27 US disclosed
US-20150099191-A1 Co-solvents with High Coulombic Efficiency in Propylene Carbonate Based Electrolytes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-09 US disclosed