SCHEMBL4592985

SCHEMBL4592985

CCOC(=O)C(OC)=C(OC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP19A1 P11511 3/20 0.46
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
DHODH Q02127 1/20 0.43

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
SCHEMBL7959384 0.84 TSHR (0.52) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16270953 0.83 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27528805 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8007236 0.82 LMNA (0.50) SMN1; SMN2ALDH1A1MAPTNPC1TSHR
SCHEMBL2226674 0.82 LMNA (0.50) SMN1; SMN2ALDH1A1MAPTNPC1TSHR
SCHEMBL16655484 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8011009 0.81 HCAR2 (0.48) SMN1; SMN2ALDH1A1NPC1TSHRTDP1
SCHEMBL8453678 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8453675 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27580018 0.79 ADRB2 (0.45) SMN1; SMN2ALDH1A1KMT2ATSHRKDM4E

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-105601496-B A kind of preparation method of 3,4 dimethoxy benzenpropanoic acid 济南诚汇双达化工有限公司 2018-04-13 CN disclosed
CN-105601496-B A kind of preparation method of 3,4 dimethoxy benzenpropanoic acid 济南诚汇双达化工有限公司 2018-04-13 CN disclosed
EP-1896169-A1 METHOD OF REDUCING THE LEVEL OF NITROGEN OXIDES IN A MEDIUM BY ABSORPTION WITH RESORCIN[4]ARENES British American Tobacco Italia S.p.A. (IT) 2008-03-12 EP disclosed
WO-2006136950-A1 METHOD BRITISH AMERICAN TOBACCO ITALIA S.P.A. (IT) 2006-12-28 WO disclosed