SCHEMBL29045332

SCHEMBL29045332

CCOC(=O)C(C)c1ccc(C(C)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GSK3B P49841 1/20 0.41
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 6/20 0.36

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
SCHEMBL25360362 0.83 GSK3B (0.40) HPGDGSK3BHDAC6HDAC3HDAC4
SCHEMBL16746890 0.81 ALOX5 (0.46) HPGDMAOACYP1A2CYP3A4LMNA
SCHEMBL29045244 0.79 TSHR (0.38) HPGDMAOACYP1A2CYP3A4CYP2C9
SCHEMBL29045259 0.79 GABBR2 (0.43) HPGDGSK3BLMNATSHRSMN1; SMN2
SCHEMBL24345842 0.79 GAA (0.43) HPGDMAOACYP1A2CYP3A4CYP2C9
SCHEMBL7759137 0.78 CYP2C9 (0.65) HPGDADRA2CMAOAADRA1ADRD3
SCHEMBL29045300 0.76 DAO (0.41) HPGDHDAC6HDAC3HDAC4HDAC1
SCHEMBL19216452 0.76 GSK3B (0.46) HPGDADRA2CMAOAADRA1ADRD3
SCHEMBL3175959 0.75 LMNA (0.48) HPGDADRA2CMAOAADRA1ADRD3
SCHEMBL3253491 0.74 HDAC3 (0.65) HPGDMAOACYP1A2CYP3A4GSK3B

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
CN-116547287-A Inhibitors of APOL1 and methods of use thereof 弗特克斯药品有限公司 2023-08-04 CN disclosed