SCHEMBL28514711

SCHEMBL28514711

COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
BACE1 P56817 3/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KIF11 P52732 3/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PTGS2 P35354 1/20 0.44
NPY2R P49146 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13110545 0.87 ELANE (0.54) ELANEBACE1ALDH1A1GAAMAPT
SCHEMBL9001477 0.86 ELANE (0.53) ELANEBACE1ALDH1A1GAAMAPT
SCHEMBL12433918 0.86 ELANE (0.53) ELANEBACE1ALDH1A1GAAMAPT
SCHEMBL28514713 0.85 MAPT (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL26862 0.85 CA4 (0.54) ALDH1A1SMN1; SMN2HTTKIF11CES2
SCHEMBL16698731 0.85 CA4 (0.54) ALDH1A1SMN1; SMN2HTTKIF11CES2
SCHEMBL121800 0.85 CA4 (0.54) ALDH1A1SMN1; SMN2HTTKIF11CES2
Ammonia Solution, Strong SCHEMBL17187816 0.83 CA4 (0.52) ALDH1A1SMN1; SMN2HTTKIF11CES2
SCHEMBL21551879 0.83 CA4 (0.52) ALDH1A1SMN1; SMN2HTTKIF11CES2
Anisole SCHEMBL5689479 0.83 ELANE (0.66) ELANEBACE1ALDH1A1GAAMAPT

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-107473972-B Nucleoside protective group and preparation thereof 上海兆维科技发展有限公司 2021-01-08 CN disclosed