Methane

Methane

SCHEMBL25275368

C.O=C1C=Cc2c(ccc3ccccc23)C1=O

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
DNMT1 P26358 1/20 0.46
PTPN1 P18031 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PTPRC P08575 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL29384620 0.98 CES1 (0.53) CES1ALDH1A1MEN1KMT2ALMNA
SCHEMBL15235 0.98 CES1 (0.53) CES1ALDH1A1MEN1KMT2ALMNA
Lithium SCHEMBL30194812 0.96 CES1 (0.51) CES1ALDH1A1MEN1KMT2ALMNA
Water SCHEMBL29149519 0.96 CES1 (0.51) CES1ALDH1A1MEN1KMT2ALMNA
Water SCHEMBL8525158 0.96 CES1 (0.51) CES1ALDH1A1MEN1KMT2ALMNA
SCHEMBL28569069 0.96 ALDH1A1 (0.54) CES1ALDH1A1MEN1KMT2ALMNA
Anthraquinone SCHEMBL11634372 0.93 DNMT1 (0.51) CES1ALDH1A1MEN1KMT2ALMNA
Boric Acid SCHEMBL28369501 0.91 CES1 (0.47) CES1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4826194 0.91 ALDH1A1 (0.62) CES1ALDH1A1MEN1KMT2ALMNA
Catechol SCHEMBL28694096 0.90 CES1 (0.46) CES1ALDH1A1MEN1KMT2ALMNA

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
WO-2023111010-A1 REDOX MEDIATOR ENCAPSULATION BEFC (FR) 2023-06-22 WO disclosed
EP-4199159-A1 REDOX MEDIATOR ENCAPSULATION BeFC (FR) 2023-06-21 EP disclosed