SCHEMBL28040606

SCHEMBL28040606

CCCCCCCCOC(=O)C=C(C=Cc1ccccc1)C(=O)OCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.54
HCAR2 Q8TDS4 2/20 0.50
EGFR P00533 1/20 0.49
TSHR P16473 2/20 0.49
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL9319603 1.00 APP (0.54) APPHCAR2EGFRTSHRAKR1B10
SCHEMBL11162643 0.95 APP (0.52) APPHCAR2TSHRAKR1B10AKR1B1
SCHEMBL28045941 0.90 AKR1B10 (0.54) APPHCAR2AKR1B10AKR1B1ALDH1A1
SCHEMBL28045810 0.90 AKR1B10 (0.54) APPHCAR2AKR1B10AKR1B1ALDH1A1
SCHEMBL19460592 0.88 APP (0.67) APPHCAR2EGFRTSHRAKR1B10
SCHEMBL13478962 0.88 APP (0.67) APPHCAR2EGFRTSHRAKR1B10
SCHEMBL1170007 0.88 APP (0.67) APPHCAR2EGFRTSHRAKR1B10
Octyl Cinnamate SCHEMBL157363 0.88 APP (0.67) APPHCAR2EGFRTSHRAKR1B10
Octyl Cinnamate SCHEMBL157362 0.88 APP (0.67) APPHCAR2EGFRTSHRAKR1B10
Heptyl Cinnamate SCHEMBL2290285 0.88 APP (0.67) APPHCAR2EGFRTSHRAKR1B10

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
CN-105085808-B Polystyrene butenedioic acid dioctyl ester and preparation method and application thereof 中国石油天然气股份有限公司 2018-02-02 CN disclosed
CN-105085808-A Polystyrene butenedioic acid dioctyl ester and preparation method and application thereof PETROCHINA CO LTD 2015-11-25 CN disclosed