SCHEMBL9566898

SCHEMBL9566898

O=C1OCCC1=Cc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 1.00
DYRK1B Q9Y463 6/20 1.00
DYRK2 Q92630 4/20 1.00
MAPT P10636 9/20 0.83
ALDH1A1 P00352 9/20 0.66
KMT2A Q03164 6/20 0.66
TDP1 Q9NUW8 4/20 0.66
LMNA P02545 3/20 0.66
MEN1 O00255 3/20 0.66
MAPK1 P28482 1/20 0.66
CLK1 P49759 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MIF P14174 1/20 0.52

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
SCHEMBL31432619 0.79 MAPT (1.00) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL11501581 0.78 MAPT (0.75) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL11501580 0.78 MAPT (0.75) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL10518776 0.77 MAPT (0.64) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL31237283 0.77 DYRK1A (0.62) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL16656152 0.77 DYRK1A (0.62) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL29763457 0.77 MAPT (0.64) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL9786539 0.77 DYRK1A (0.62) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL29577825 0.77 DYRK1A (0.62) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL13642233 0.76 DYRK1A (0.61) DYRK1ADYRK1BDYRK2MAPTALDH1A1

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
EP-0562185-A1 3-(Arylmethyl)-1-(3'-diethylaminopropyl) pyrrolidines and process of preparation thereof Council of Scientific and Industrial Research (IN) 1993-09-29 EP disclosed