Ethane

Ethane

SCHEMBL7480930

CC.O=c1oc(CNS(=O)(=O)c2ccccc2)cc(O)c1C(c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TGFBR1 P36897 1/20 0.38
ALOX12 P18054 1/20 0.37
HTR6 P50406 4/20 0.37
PTGES O14684 1/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
MAP1LC3A Q9H492 1/20 0.35
PDE4B Q07343 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.35

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
Ethane SCHEMBL7484090 0.95 ALOX12 (0.38) POLBTGFBR1ALOX12ALDH1A1PDE4B
Ethane SCHEMBL7482421 0.94 TGFBR1 (0.39) POLBTGFBR1ALOX12HTR6PTGES
Ethane SCHEMBL7482696 0.93 ATIC (0.39) POLBALOX12
SCHEMBL7441054 0.91 ALOX12 (0.37) POLBTGFBR1ALOX12HTR6PTGES
Ethane SCHEMBL7485196 0.90 HSP90AA1 (0.39) ALDH1A1HPGDPDE4BMEN1KMT2A
SCHEMBL9287557 0.86 HTR6 (0.35) POLBTGFBR1ALOX12HTR6PTGES
SCHEMBL7450441 0.85 ALOX12 (0.39) ALOX12ALDH1A1MEN1KMT2A
SCHEMBL7441056 0.85 ALDH1A1 (0.40) POLBHTR6PTGESGAAALDH1A1
SCHEMBL7443310 0.84 POLB (0.36) POLBTGFBR1ALOX12HTR6PTGES
SCHEMBL7432825 0.84 NAMPT (0.38) ALOX12GAAKMT2A

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
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed