SCHEMBL312951

SCHEMBL312951

CC(c1ccccc1)c1ccc(=O)[nH]c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
EPHX2 P34913 1/20 0.41
KAT2B Q92831 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.36
SOS1 Q07889 1/20 0.36
HSD11B1 P28845 2/20 0.36
FKBP5 Q13451 1/20 0.35
ESR1 P03372 1/20 0.35
PDCD1 Q15116 1/20 0.35
ESR2 Q92731 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3165454 0.80 EPHX2 (0.43) EPHX2KAT2BATMKMT2AALDH1A1
SCHEMBL1104785 0.77 ALDH1A1 (0.44) KAT2BMEN1KMT2AALDH1A1MAPT
SCHEMBL8643448 0.76 ESR1 (0.55) KMT2AALDH1A1KDM4EESR1PDCD1
SCHEMBL28018148 0.75 ALDH1A1 (0.48) EPHX2KAT2BMEN1KMT2AALDH1A1
SCHEMBL9333908 0.74 ALDH1A1 (0.41) EPHX2KAT2BMEN1KMT2AALDH1A1
SCHEMBL31564825 0.74 ALDH1A1 (0.41) EPHX2KAT2BMEN1KMT2AALDH1A1
SCHEMBL3057963 0.74 ALDH1A1 (0.41) EPHX2KAT2BMEN1KMT2AALDH1A1
SCHEMBL169730 0.73 TAAR1 (0.50) KMT2AALDH1A1KDM4EESR1PDCD1
SCHEMBL7499823 0.73 TAAR1 (0.50) KMT2AALDH1A1KDM4EESR1PDCD1
Benzene SCHEMBL28192760 0.73 TAAR1 (0.50) KMT2AALDH1A1KDM4EESR1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093210-B2 Treatment of sepsis with 5-ethyl-1-phenyl-2(1H)-pyridone SOLANAN, INC. (US) 2012-01-10 US disclosed