SCHEMBL28045941

SCHEMBL28045941

CCCOC(=O)/C=C(/C=Cc1ccccc1)C(=O)OCCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 4/20 0.54
AKR1B1 P15121 4/20 0.54
APP P05067 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOB P27338 1/20 0.46
ALOX5 P09917 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL28045810 1.00 AKR1B10 (0.54) AKR1B10AKR1B1APPALDH1A1LMNA
SCHEMBL11162643 0.92 APP (0.52) AKR1B10AKR1B1APPALDH1A1LMNA
SCHEMBL28040606 0.90 APP (0.54) AKR1B10AKR1B1APPALDH1A1LMNA
SCHEMBL9319603 0.90 APP (0.54) AKR1B10AKR1B1APPALDH1A1LMNA
Propyl Cinnamate SCHEMBL133146 0.87 AKR1B10 (0.69) AKR1B10AKR1B1APPALDH1A1LMNA
Propyl Cinnamate SCHEMBL133147 0.87 AKR1B10 (0.69) AKR1B10AKR1B1APPALDH1A1LMNA
SCHEMBL28033881 0.86 CA12 (0.55) AKR1B10AKR1B1ALDH1A1LMNAMEN1
SCHEMBL28033880 0.86 CA12 (0.55) AKR1B10AKR1B1ALDH1A1LMNAMEN1
Propyl Cinnamate SCHEMBL28249372 0.82 AKR1B10 (0.63) AKR1B10AKR1B1APPALDH1A1LMNA
SCHEMBL30215729 0.82 APP (0.53) AKR1B10AKR1B1APPALDH1A1LMNA

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-105085805-B Polystyrene dipropyl butenedioate as well as preparation method and application thereof 中国石油天然气股份有限公司 2017-09-01 CN disclosed
CN-105085805-A Polystyrene dipropyl butenedioate as well as preparation method and application thereof PETROCHINA CO LTD 2015-11-25 CN disclosed