SCHEMBL9266274

SCHEMBL9266274

CC(C)Oc1ccccc1OCCOS(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR7 P34969 1/20 0.42
ACHE P22303 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL9266592 0.84 ADRB2 (0.41) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL9266739 0.83 ADRA1A (0.40) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL29074501 0.83 L3MBTL1 (0.37) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL6275145 0.81 LMNA (0.53) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL2345631 0.81 L3MBTL1 (0.61) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL9270489 0.81 L3MBTL1 (0.43) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL9262266 0.80 CYP1A2 (0.51) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL4631786 0.79 LMNA (0.54) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL6274367 0.78 TDP1 (0.48) NPSR1KDM4EALDH1A1LMNATDP1
SCHEMBL25925300 0.78 NPSR1 (0.64) NPSR1KDM4EALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5436264-A Adrenergic blocking agents for vasoconstriction and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1995-07-25 US disclosed