SCHEMBL28560495

SCHEMBL28560495

CCOc1cccc(CC(C)C(=O)O)c1.[Zn]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
PTGS2 P35354 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL20905595 0.85 MME (0.59) FFAR1SMN1; SMN2TSHRCYSLTR2CYSLTR1
SCHEMBL3820299 0.84 CYSLTR2 (0.53) SMN1; SMN2MAPK1L3MBTL1TSHRTDP1
SCHEMBL5740450 0.83 TAAR1 (0.63) FFAR1SMN1; SMN2ALDH1A1LMNAPPARA
SCHEMBL12191881 0.83 TAAR1 (0.63) FFAR1SMN1; SMN2ALDH1A1LMNAPPARA
SCHEMBL12191887 0.83 TAAR1 (0.63) FFAR1SMN1; SMN2ALDH1A1LMNAPPARA
SCHEMBL2777702 0.82 SLC7A5 (0.58) SMN1; SMN2TDP1KDM4EPTGS2PKM
SCHEMBL2777704 0.82 SLC7A5 (0.58) SMN1; SMN2TDP1KDM4EPTGS2PKM
SCHEMBL31537556 0.82 SLC7A5 (0.58) SMN1; SMN2TDP1KDM4EPTGS2PKM
SCHEMBL17020910 0.82 FFAR1 (0.54) FFAR1CYSLTR2CYSLTR1MMEACE
SCHEMBL22365440 0.82 FFAR1 (0.64) FFAR1

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-112723999-A Synthetic method of 2- (4-ethoxyphenyl) -2-methylpropanol 湖北英纳氏生物科技有限公司 2021-04-30 CN claimed
CN-112723999-A Synthetic method of 2- (4-ethoxyphenyl) -2-methylpropanol 湖北英纳氏生物科技有限公司 2021-04-30 CN disclosed