SCHEMBL9619657

SCHEMBL9619657

CC(C)C(OCCO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
KCNH2 Q12809 3/20 0.50
CYP3A4 P08684 2/20 0.50
TRPA1 O75762 4/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
ADRA2A P08913 2/20 0.39
LMNA P02545 2/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
AOC3 Q16853 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL11295461 0.90 CYP2D6 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL97127 0.80 TRPA1 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29633537 0.80 TRPA1 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9750485 0.78 TAAR1 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6560720 0.76 LMNA (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29277742 0.75 HTT (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL18312620 0.75 HTT (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7120235 0.75 ALDH1A1 (0.46) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4556683 0.75 SCN1A (0.57) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13551542 0.75 L3MBTL1 (0.40) SLC6A4CYP3A4ALDH1A1RECQLLMNA

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-0250090-B1 STORAGE STABLE LATENTLY CURABLE ACRYLIC FORMULATIONS EMPLOYING POLYMERIC HYDROPEROXIDES LOCTITE CORPORATION (US) 1992-01-29 EP disclosed
EP-0250090-A2 Storage stable latently curable acrylic formulations employing polymeric hydroperoxides LOCTITE CORPORATION (US) 1987-12-23 EP disclosed