SCHEMBL2772902

SCHEMBL2772902

CC(CO)N(CCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
TRPA1 O75762 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SCN1A P35498 1/20 0.36
HIF1A Q16665 1/20 0.36
SCN2A Q99250 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
SCHEMBL8089461 0.84 KDM4E (0.46) KDM4EL3MBTL1ALDH1A1TAAR1OPRM1
SCHEMBL5754344 0.84 TAAR1 (0.47) KDM4EL3MBTL1ALDH1A1TAAR1OPRM1
SCHEMBL8430263 0.84 SIGMAR1 (0.50) KDM4EL3MBTL1TAAR1TRPA1CYP2D6
SCHEMBL13183502 0.84 ALDH1A1 (0.40) ALDH1A1TAAR1OPRM1OPRL1MEN1
SCHEMBL30885596 0.82 KDM4E (0.49) KDM4EL3MBTL1ALDH1A1TAAR1OPRM1
SCHEMBL7592231 0.79 TRPA1 (0.44) KDM4EL3MBTL1ALDH1A1TAAR1TRPA1
SCHEMBL27796477 0.78 KDM4E (0.46) KDM4EL3MBTL1TAAR1OPRM1OPRL1
SCHEMBL4975921 0.77 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1TAAR1OPRM1
SCHEMBL2186255 0.75 TRPA1 (0.42) KDM4EL3MBTL1ALDH1A1TRPA1LMNA
SCHEMBL8473559 0.75 TRPA1 (0.45) KDM4EL3MBTL1ALDH1A1TAAR1TRPA1

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-2178937-A2 ACRYLATED URETHANES, PROCESSES FOR MAKING THE SAME AND CURABLE COMPOSITIONS INCLUDING THE SAME Henkel Corporation (US) 2010-04-28 EP claimed
WO-2009005835-A2 ACRYLATED URETHANES, PROCESSES FOR MAKING THE SAME AND CURABLE COMPOSITIONS INCLUDING THE SAME HENKEL CORPORATION (US) 2009-01-08 WO claimed