SCHEMBL28186332

SCHEMBL28186332

CC(=CCCc1ccccc1)C(=O)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.50
AKR1B10 O60218 3/20 0.48
AKR1B1 P15121 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL28373475 0.88 LMNA (0.44) HCAR2AKR1B10AKR1B1ESR1TDP1
SCHEMBL28199414 0.88 SMN1; SMN2 (0.49) L3MBTL1TDP1ALDH1A1SMN1; SMN2TRPV1
SCHEMBL28187044 0.88 ALDH1A1 (0.54) HCAR2L3MBTL1ESR1TDP1ALDH1A1
SCHEMBL28363851 0.88 HCAR2 (0.50) HCAR2AKR1B10AKR1B1L3MBTL1ESR1
SCHEMBL29349872 0.86 HCAR2 (0.43) HCAR2AKR1B10AKR1B1L3MBTL1ESR1
SCHEMBL27491439 0.86 TSHR (0.48) L3MBTL1TDP1ALDH1A1TP53CYP3A4
SCHEMBL872898 0.85 HCAR2 (0.54) HCAR2AKR1B10AKR1B1L3MBTL1ESR1
SCHEMBL873497 0.85 HCAR2 (0.54) HCAR2AKR1B10AKR1B1L3MBTL1ESR1
SCHEMBL872900 0.85 HCAR2 (0.54) HCAR2AKR1B10AKR1B1L3MBTL1ESR1
SCHEMBL28055677 0.84 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2

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-108699184-B (methyl) acrylic-based compositions, coating and solidified body comprising being somebody's turn to do (methyl) acrylic-based compositions 三菱瓦斯化学株式会社 2019-08-09 CN disclosed
CN-107406654-B Resin composition and molded article using same 三菱瓦斯化学株式会社 2019-03-08 CN disclosed
CN-108699184-A (methyl) acrylic-based compositions include the coating and firming body for being somebody's turn to do (methyl) acrylic-based compositions 三菱瓦斯化学株式会社 2018-10-23 CN disclosed
CN-107406654-A Resin composition and molded article using same 三菱瓦斯化学株式会社 2017-11-28 CN disclosed