SCHEMBL28129455

SCHEMBL28129455

C#CC(=O)Oc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.44
BCHE P06276 1/20 0.44
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NOTUM Q6P988 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PTGS2 P35354 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28118337 0.81 CA1 (0.50) ATML3MBTL1BCHEKMT2ALMNA
SCHEMBL28090379 0.78 PTK2B (0.46) TDP1BCHERXRARXRBNPSR1
SCHEMBL14775136 0.78 PPARG (0.45) TDP1ATML3MBTL1PPARGBCHE
SCHEMBL6002045 0.78 L3MBTL1 (0.43) ATML3MBTL1PTGS2NPSR1MEN1
SCHEMBL236664 0.77 TDP1 (0.50) TDP1ATML3MBTL1PPARGBCHE
SCHEMBL29351165 0.77 TDP1 (0.50) TDP1ATML3MBTL1PPARGBCHE
SCHEMBL7064558 0.77 TDP1 (0.50) TDP1ATML3MBTL1PPARGBCHE
SCHEMBL28090411 0.77 GRM4 (0.39) L3MBTL1PTGS2MEN1KMT2ALMNA
SCHEMBL28090375 0.77 FAAH (0.46) TDP1L3MBTL1PPARGKMT2ALMNA
SCHEMBL27920391 0.77 L3MBTL1 (0.54) L3MBTL1NPSR1MEN1KMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496087-B A kind of method by the decarboxylation coupling reaction one pot process compound of class containing selenium 广西师范大学 2018-01-23 CN claimed
CN-106496087-A A kind of method by the decarboxylation coupling reaction one pot process compound of class containing selenium 广西师范大学 2017-03-15 CN claimed
CN-116675599-A Novel method for synthesizing phenylpropionic acid 大连理工大学 2023-09-01 CN disclosed
CN-106496087-B A kind of method by the decarboxylation coupling reaction one pot process compound of class containing selenium 广西师范大学 2018-01-23 CN disclosed
CN-107556269-A The synthetic method of α alkynyl substituted ether compounds 南京理工大学 2018-01-09 CN disclosed
CN-106496087-A A kind of method by the decarboxylation coupling reaction one pot process compound of class containing selenium 广西师范大学 2017-03-15 CN disclosed