SCHEMBL28615738

SCHEMBL28615738

CC(O)C(O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KIF11 P52732 1/20 0.40
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL1721415 0.89 PDE2A (0.51) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL1046494 0.84 PDE2A (0.54) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL18291828 0.84 PDE2A (0.54) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL17996536 0.82 PDE2A (0.46) PDE2AALDH1A1MAPTEPHX2CYP17A1
SCHEMBL17996561 0.82 PDE2A (0.50) PDE2AALDH1A1L3MBTL1CYP17A1CYP2C9
SCHEMBL16771224 0.79 PDE2A (0.49) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL2056155 0.79 PDE2A (0.58) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL84428 0.79 ALDH1A1 (0.65) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL646362 0.79 TOP2A (0.49) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL28729244 0.78 PDE2A (0.42) PDE2AALDH1A1MAPTEPHX2L3MBTL1

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-109641831-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2021-09-10 CN disclosed