Ethane

Ethane

SCHEMBL2590617

CC.O=S(=O)(O)SS(=O)(=O)O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
TSHR P16473 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NT5E P21589 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL134964 0.91
Ammonia Solution, Strong SCHEMBL6054701 0.87 CA5A (0.42) CA5ACA5BTSHRCA1CA2
SCHEMBL28446871 0.87 CA5A (0.42) CA5ACA5BTSHRCA1CA2
Methane SCHEMBL5575970 0.87 CA5A (0.42) CA5ACA5BTSHRCA1CA2
Ammonia Solution, Strong SCHEMBL27487772 0.87 CA5A (0.42) CA5ACA5BTSHRCA1CA2
SCHEMBL27903686 0.87 CA5A (0.42) CA5ACA5BTSHRCA1CA2
Water SCHEMBL28550873 0.87 CA5A (0.42) CA5ACA5BTSHRCA1CA2
Phosphine SCHEMBL27502726 0.87 CA5A (0.42) CA5ACA5BTSHRCA1CA2
SCHEMBL5015875 0.80 CA5A (0.36) CA5ACA5BTSHRCA1CA2
SCHEMBL7213274 0.80 CA5A (0.36) CA5ACA5BTSHRCA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130288275-A1 COMPOSITIONS AND METHODS FOR DETECTING ACETYLATED SUMO PROTEINS GEORGETOWN UNIVERSITY (US) 2013-10-31 US disclosed
WO-2011140478-A2 COMPOSITIONS AND METHODS FOR DETECTING ACETYLATED SUMO PROTEINS GEORGETOWN UNIVERSITY (US) 2011-11-10 WO disclosed
US-4150223-A ANTIBIOTICS MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed