SCHEMBL9155667

SCHEMBL9155667

CC(C)=COc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
CYP2A6 P11509 2/20 0.54
ALDH1A3 P47895 1/20 0.48
KMT2A Q03164 2/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
STS P08842 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 4/20 0.40
DRD1 P21728 1/20 0.40
TTR P02766 1/20 0.40
TYR P14679 1/20 0.39

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
SCHEMBL4371377 0.84 TTR (0.37) LMNASMN1; SMN2MAPTHPGDTTR
SCHEMBL9156955 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL12853933 0.76 CA1 (0.52) ALDH1A1CYP2A6LMNAMAPTHPGD
SCHEMBL12853874 0.76 LMNA (0.46) ALDH1A1KMT2ALMNAMAPT
SCHEMBL2041695 0.75 ALDH1A1 (0.58) ALDH1A1CYP2A6ALDH1A3KMT2APARP10
SCHEMBL11444324 0.74 HPGD (0.39) CYP2A6KMT2ALMNASMN1; SMN2MAPT
SCHEMBL18741335 0.73 ALDH1A1 (0.43) ALDH1A1CYP2A6ALDH1A3KMT2APARP10
SCHEMBL11130801 0.73 ALDH1A1 (0.47) ALDH1A1CYP2A6ALDH1A3KMT2APARP10
SCHEMBL9719613 0.73 CA4 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL9342098 0.72 SLC2A1 (0.38) LMNAKDM4ETTR

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
CN-112679515-A Benzofuran derivative and preparation method and application thereof 苏聪 2021-04-20 CN disclosed
EP-0490589-B1 Styryloxy compounds and polymers thereof LOCTITE IRELAND LTD (IE) 1995-03-08 EP disclosed
EP-0490589-A1 Styryloxy compounds and polymers thereof LOCTITE (IRELAND) Ltd. (IE) 1992-06-17 EP disclosed
US-5084490-A Polymers for use in surface coatings, films, inks, adhesives and seals LOCTITE (IRELAND) LIMITED (IE) 1992-01-28 US disclosed