Ethane

Ethane

SCHEMBL668960

CC.O=C(O)Oc1ccc([N+](=O)[O-])cc1CC=S(=O)=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL7603982 0.82 MEN1 (0.46) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL7603981 0.82 MEN1 (0.46) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL28102381 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL32662599 0.80 CYP1A2 (0.46) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL7104075 0.79 ALDH1A1 (0.41) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL8391721 0.79 ALDH1A1 (0.39) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL8391725 0.79 ALDH1A1 (0.39) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL7104073 0.79 ALDH1A1 (0.41) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL20299855 0.78 BCL9 (0.44) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL2993625 0.77 CYP1A2 (0.44) ALDH1A1MAPTHPGDPTGDR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606060-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM Corporation (US) 2013-06-26 EP disclosed
WO-2012024224-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2012-02-23 WO disclosed