Methane

Methane

SCHEMBL28294512

C.O=C1NC(=O)c2c(CC3CO3)cccc21

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ GSK3B P49841 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ PARP1 P09874 6/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ CASP3 P42574 6/20 0.35
▸ PARP2 Q9UGN5 1/20 0.34
▸ PARP3 Q9Y6F1 1/20 0.34
▸ CASP7 P55210 2/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ POLB P06746 3/20 0.32

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
SCHEMBL30614595 0.98 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL932859 0.98 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL3882337 0.98 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL476301 0.98 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL25256110 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL25256112 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL25217371 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL30352814 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL27815646 0.84 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL4716290 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MAPK10

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-109642010-A The synthetic method of poly- Oxazolidinone compound 科思创德国股份有限公司 2019-04-16 — — CN disclosed
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