Methane

Methane

SCHEMBL28072115

C.C=CC(=O)OC(C)CC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.47
HPGD P15428 2/20 0.41
ALDH1A1 P00352 7/20 0.36
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 3/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL18215276 0.98
SCHEMBL18215270 0.98
SCHEMBL34386 0.98
SCHEMBL27825717 0.96 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10445967 0.96 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL8610613 0.92 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28717227 0.88 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8504591 0.85 TSHR (0.72) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28028094 0.84
SCHEMBL10099799 0.83 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A

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
CN-110783287-A Thermally conductive sheet 日东电工株式会社 2020-02-11 CN disclosed
CN-103391811-B Microcapsules using paraffin wax composition as capsule-core BASF SE (DE) 2016-05-18 CN disclosed