Ethyne

Ethyne

SCHEMBL27623976

C#C.C#C.CC(O)C(N)C(=O)NO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.35
TARS1 P26639 1/20 0.34
CTSC P53634 1/20 0.34
DPP4 P27487 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
SLC7A5 Q01650 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ECE1 P42892 2/20 0.31
SLC15A1 P46059 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
SCHEMBL400389 0.95
SCHEMBL25009059 0.95
SCHEMBL19638604 0.95
SCHEMBL14195896 0.95
SCHEMBL402617 0.89 SPHK1 (0.33) SPHK1TARS1CTSCDPP4HDAC7
Biphenyl SCHEMBL402802 0.78 TAAR1 (0.51) TARS1HDAC7HDAC8HDAC6HDAC9
SCHEMBL13244562 0.77
SCHEMBL271971 0.77
SCHEMBL2512216 0.77
SCHEMBL2512211 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN disclosed
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN disclosed
CN-102267924-A Antibacterial agent 2011-12-07 CN disclosed
CN-1777577-B Antibacterial agent CHIRON CORP 2011-07-06 CN disclosed
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN disclosed
CN-1777577-A Antibacterial agent CHIRON CORP (US) 2006-05-24 CN disclosed