Methane

Methane

SCHEMBL29047002

C.C=CC(=O)Oc1cccc(-c2ccccc2)c1OC(=O)C=C

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.43
THRB P10828 2/20 0.42
THRA P10827 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
FABP7 O15540 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL27726412 0.98 TYMS (0.44) TYMSTHRBTHRATDP1L3MBTL1
SCHEMBL28195023 0.88 FABP3 (0.43) TYMSTHRBTHRATDP1L3MBTL1
SCHEMBL35121 0.85 FABP3 (0.49) TYMSTHRBTHRATDP1L3MBTL1
SCHEMBL29733244 0.85 FABP3 (0.49) TYMSTHRBTHRATDP1L3MBTL1
SCHEMBL16760987 0.85 ALDH1A1 (0.47) TYMSTHRBTHRATDP1L3MBTL1
Biphenyl SCHEMBL27827806 0.84 FABP3 (0.48) TYMSTHRBTHRATDP1L3MBTL1
SCHEMBL14689965 0.82 HNF4A (0.50) TYMSL3MBTL1KDM4EMAPTHPGD
SCHEMBL27771763 0.82 TYMS (0.43) TYMSTHRBTHRATDP1L3MBTL1
SCHEMBL28243735 0.82 SMN1; SMN2 (0.42) TYMSTHRBTHRATDP1L3MBTL1
Hydrogen Sulfide SCHEMBL27837237 0.82 TYMS (0.43) TYMSTHRBTHRATDP1L3MBTL1

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
CN-116391001-A Curable composition and cured product thereof 日产化学株式会社 2023-07-04 CN disclosed