Methane

Methane

SCHEMBL28838467

C.Oc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.62
PDE4B Q07343 3/20 0.53
PDE4A P27815 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
ALOX5 P09917 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
BCL2L1 Q07817 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.43
GPR35 Q9HC97 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESR2 Q92731 4/20 0.40
ESR1 P03372 3/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40

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
SCHEMBL21382004 0.98 BACE1 (0.65) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL28096487 0.96 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
Phosphine SCHEMBL1744080 0.96 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
Ethane SCHEMBL27486393 0.94 BACE1 (0.60) BACE1PDE4BPDE4APDE4CPDE4D
Ethylene SCHEMBL28403381 0.94 BACE1 (0.60) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL6521502 0.91 BACE1 (0.61) BACE1PDE4BPDE4APDE4CPDE4D
Tetramethylammonium Ion SCHEMBL28422549 0.90 BACE1 (0.56) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL9236954 0.83 BACE1 (0.62) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL1760415 0.83 PDE4B (0.62) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL27678112 0.82 BACE1 (0.59) BACE1PDE4BPDE4APDE4CPDE4D

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-115038664-A Method for producing hexagonal boron nitride powder 株式会社德山 2022-09-09 CN disclosed